In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2008 | 7 | Yes |
Popular Name: Aniline Aniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 103-06-0 , 108-91-8 , 128884-30-0 , 142-04-1 , 1665-59-4 , 29703-55-7 , 51855-90-4 , 542-11-0 , 542-16-5 , 62-53-3 , 82395-88-8 , [142-04-1] , [62-53-3] , [82395-88-8]
62-53-3; aminobenzene; aniline; benzenamine; phenylamine
62-53-3; Aniline; Arylamine; Benzenamine; C00292; Phenylamine
Anilin; aminobenzene; aminophen; aniline; benzeneamine; kyanol
ANILINE HYDROCHLORIDE, [14C(U)]
Aniline, arsenate; Arsenic acid, aniline salt; Arsenic acid, compd. with benzenamine (1:3); LS-19565
Aniline, hydrogen phosphite; Anilinium hydrogen phosphite; LS-19842
anilino; anilino radical; phenylamino
CHEBI:40796; CHEBI:2732; CHEBI:13834; CHEBI:22561
Iron, bis(aniline)oxalato-; Iron, bis(benzenamine)(ethanedioato(2-)-O,O')-; LS-84219
N,N-DIETHYL-N'-PHENYLETHYLENEDIAMINE
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 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 6.2 | Acros Organics |
Melting_Point | 6? | Alfa-Aesar |
Melting_Point | 6° | 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 |
No pre-computed analogs available. Try a structural similarity search.