UCSF

ZINC17886255

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 7 Yes

Other Names:

''aniline Salt''; ANILINE HYDROCHLORIDE (SEE ALSO ANILINE 62-53-3); ANILINE.HCl; Aniline Hydrochloride; Aniline hydrochloride (6CI,8CI); Aniline hydrochloride [UN1548] [Poison]; Anilinium Chloride; Benzenamine hydrochloride; Benzenamine, hydrochloride; C.

62-53-3; aminobenzene; aniline; benzenamine; phenylamine

62-53-3; Aniline; Arylamine; Benzenamine; C00292; Phenylamine

AF 10; Aniline, formaldehyde resin; Aniline, polymer with formaldehyde; Aniline-formaldehyde condensate; Aniline-formaldehyde polymer; Benzenamine, polymer with formaldehyde; Benzeneamine, polymer with formaldehyde; Formaldehyde, polymer with benzenamine

AI3-03053; ANILINE (SEE ALSO ANILINE HYDROCHOLORIDE 142-04-1); Aminobenzene; Aminophen; Anilin [Czech]; Anilina [Italian, Polish]; Aniline; Aniline (and salts); Aniline [UN1547] [Poison]; Aniline and homologs; Aniline and homologues; Aniline oil; Anyvim

aminobenzene

Aminobenzene;Aminophen;Anilin;Anilina;Aniline hydrobromide;Aniline reagent;Anyvim;Arylamine;Benzenamine;Benzeneamine;Benzidam;Cyanol;D'Aniline;Krystallin;Kyanol;Phenylamine

Aminophen

Ammonium rhodanilate; Ammonium tetraisothiocyanatobis(aniline)chromate(III); Chromate(1-), bis(aniline)tetrakis(isothiocyanato)-, ammonium; Chromate(1-), bis(benzenamine)tetrakis(thiocyanato-N)-, ammonium; LS-53376; Rhodanilic acid, ammonium salt

Anilin

Anilin [czech]

Anilin; aminobenzene; aminophen; aniline; benzeneamine; kyanol

Anilina

Aniline HCl

Aniline hydrobromide

Aniline hydrochloride

Aniline hydrochloride, 99%

ANILINE HYDROCHLORIDE, [14C(U)]

Aniline oil

Aniline oil, phenylamine

Aniline oxalate

Aniline phosphate

Aniline phosphinate

Aniline sulfate

Aniline sulfate, 98%

Aniline(S#299)-Liq

Aniline, 99+%

Aniline, 99+%, ACS reagent

Aniline, 99.5%, extra pure

Aniline, 99.8%, pure

Aniline, ACS

Aniline, ACS, 99+%

Aniline, arsenate; Arsenic acid, aniline salt; Arsenic acid, compd. with benzenamine (1:3); LS-19565

Aniline, hydrogen phosphite; Anilinium hydrogen phosphite; LS-19842

Aniline, polymer with 1-chloro-2,3-epoxypropane; Aniline-epichlorohydrin copolymer; Aniline-epichlorohydrin polymer; Benzenamine, polymer with (chloromethyl)oxirane; Epazon; LS-19977

ANILINEHYDROCHLORIDE,[14C ]

anilinephosphate

AnilineSulfate

anilino; anilino radical; phenylamino

Anilinum

anilinyl

Anyvim

Arylamine

Benzamine

Benzenamine

Benzenamine sulfate 2:1

Benzenamine, mercury(2+) salt (2:1); Dianilinomercury; LS-89744; Mercury, dianilino-; N,N'-Mercuridianiline; NSC 203230

Benzene, amino

Benzene,amino (aniline)

Benzeneamine

Benzidam

BIDD:ER0581

Blue oil

C.I. Oxidation base 1

Caswell No. 051C

CHEBI:40796; CHEBI:2732; CHEBI:13834; CHEBI:22561

CI Oxidation Base 1

Cyanol

Cyclohexylamine

D'aniline

HSDB 43

Huile d'aniline

Huile d'aniline [french]

Iron, bis(aniline)oxalato-; Iron, bis(benzenamine)(ethanedioato(2-)-O,O')-; LS-84219

Krystallin

Kyanol

LS-190416

LS-20013

methanesulfonicacidaniline

MFCD00007629

MFCD00012958

MFCD00013110

MFCD00035465

MFCD00040680

MFCD00043794

MFCD07369777

N,N-DIETHYL-N'-PHENYLETHYLENEDIAMINE

nchembio.257-comp9

Phenyl Trifluoromethyl Sulfide [456-56-4]

phenylamine

Phenyleneamine

RCRA waste no. U012

Rcra waste number U012

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.01 2.37 -2.57 2 1 0 26 93.129 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 6.2 Acros Organics
Melting_Point 6? Alfa-Aesar
Melting_Point Alfa-Aesar
ALOGPS_SOLUBILITY 1.80e+01 g/l DrugBank-experimental
BP [°C] 181 - 185 Acros Organics
Boiling_Point 183-184? Alfa-Aesar
Boiling_Point 183-184° Alfa-Aesar
BP 184° Oakwood Chemical
Melting_Point 196-200? Alfa-Aesar
Melting_Point 196-200° Alfa-Aesar
Boiling_Point 245? Alfa-Aesar
Boiling_Point 245° Alfa-Aesar
Target 5-aminolevulinate synthase, erythroid-specific, mitochondrial(P22557)&Heme oxygenase 1(P09601)&Connective tissue growth factor(P29279)&Nitric oxide synthase, inducible(P35228)&Hypoxia-inducible factor 1-alpha(Q16665)&TRIO and F-actin-binding protein(Q9H2D Herbal Ingredients Targets
Purity 99% Fluorochem
UniProt Database Links AAM_RHOER; AKT1_HUMAN; CATA1_ACILW; CATA2_ACILW; CP2BX_CAVPO; DHPSL_METJA; INMT_HUMAN; INMT_MOUSE; INMT_PONAB; INMT_RABIT; LAC2D_CERUI; MEDH_RHOER; NAT_MYCBO; NAT_MYCSM; NAT_MYCTU; NHOA_ECOLI; NHOA_SALTY; PRND_PSEFL; PXG1_ARATH; PXG2_ARATH; PXG_ORYSI; PXG ChEBI
Patent Database Links EP0770603; EP0771669; EP0775699; EP0787722; EP0796845; EP0807625; EP0812824; EP0824099; EP0884312; EP0949243; EP0971025; EP0972764; EP0972770; EP0985670; EP0985671; EP1006102; EP1010731; EP1013636; EP1048666; EP1082110; EP1090907; EP1101760; EP1106607; EP ChEBI
H phrase H351: Suspected of causing cancer Acros Organics
H phrase H351: Suspected of causing cancer; H341: Suspected of causing genetic defects; H331: Toxic if inhaled; H311: Toxic in contact with skin; H301: Toxic if swallowed; H318: Causes serious eye damage; H317: May cause an allergic skin reaction; H400: Very toxic Acros Organics
H phrase H351: Suspected of causing cancer; H372: Causes damage to organs through prolonged or repeated exposure; H341: Suspected of causing genetic defects; H311: Toxic in contact with skin; H301: Toxic if swallowed; H318: Causes serious eye damage; H331: Toxic i Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove conta Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P305 + P351 + P338: IF IN Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R40: Limited evidence of a carcinogenic effect.; R41: Risk of serious damage to eyes.; R43: May cause sensitisation by skin contact.; R48/23/24/25: Toxic : danger of serious damage to Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S27: Take off immediately all contaminated clothing.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accide Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; N: Dangerous for the environment Acros Organics
Patent Database Links US2006263816 ChEBI
PUBCHEM_PATENT_ID US5506147 IBM Patent Data
PUBCHEM_PATENT_ID US6103910 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.