UCSF

ZINC12358719

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 12 Yes

CAS Numbers: , 1994/9/7 , 23239-88-5 , 94-09-7 , [23239-88-5] , [94-09-7]

Other Names:

"Ethyl 4-aminobenzoate, 98%"

(p-(Ethoxycarbonyl)phenylamine;4-(Ethoxycarbonyl)aniline;4-(Ethoxycarbonyl)phenylamine;4-Aminobenzoate;4-Aminobenzoic acid;4-Aminobenzoic acid ethyl ester;4-Carbethoxyaniline;Aethoform;Amben ethyl ester;Americaine;Anaesthan-syngala;Anaesthesin;Anaesthin;A

caine

06952_FLUKA

112909_ALDRICH

112909_SIAL

1333-08-0

23239-88-5

23239-88-5 (hydrochloride)

4 Aminobenzoic Acid Ethyl Ester

4-(Ethoxycarbonyl)aniline

4-(Ethoxycarbonyl)aniline; 4-Aminobenzoic Acid Ethyl Ester; 4-Aminobenzoic acid, ethyl ester; 4-Carbethoxyaniline; AI3-02081; Aethylium paraminobenzoicum; Amben ethyl ester; Americaine; Anaesthan-syngala; Anaesthesin; Anaesthesinum; Anaesthin; Anbesol; An

4-14-00-01129 (Beilstein Handbook Reference)

4-amino-benzoic acid ethyl ester

4-Aminobenzoic acid ethyl ester

4-Aminobenzoic acid, ethyl ester

4-Carbethoxyaniline

71123-91-6

94-09-7

94-09-7 (Parent)

94-09-7; Benzocaine (USP/INN); D00552; Ethyl aminobenzoate (JP16); Parathesin (TN)

94-09-7; Benzocaine; C07527; Ethyl aminobenzoate

94-09-7; Benzocaine; Prestwick_991

A0271

AB00051923

AC1L1DGC

AC1Q341A

AC1Q64JE

Acetate, Benzocaine

AE-562/40377256

Aethoform

Aethylium paraminobenzoicum

AI3-02081

AKOS000119763

Amben Ethyl Ester

Americaine

Anaesthan-Syngala

Anaesthesin

Anaesthesinum

Anaesthin

ANBESOL

Anestezin

Anestezin [Russian]

Anesthesin

Anesthesine

Anesthone

AR-1H9065

Baby Anbesol

BB_SC-0019

Bensokain

Benzocaina

Benzocaina [INN-Spanish]

Benzocaina; Benzocaine; Benzocainum

Benzocaine (BAN

Benzocaine (USP/INN)

Benzocaine Acetate

Benzocaine Formate

Benzocaine Hydrobromide

Benzocaine hydrochloride

Benzocaine hydrochloride, 99%+

Benzocaine Methanesulfonate

Benzocaine [INN:BAN]

Benzocaine.HCl

Benzocainehydrochloride

Benzocainum

Benzocainum [INN-Latin]

benzoic acid, 4-amino-, ethyl ester

Benzoic acid, 4-amino-, ethyl ester, hydrochloride

Benzoic acid, amino-, ethyl ester

Benzoic acid, p-amino-, ethyl ester

BPBio1_001017

BRD-K75466013-001-05-2

BRN 0638434

BSPBio_000923

BSPBio_001908

C07527

CAS-94-09-7

Caswell No. 430A

CHEBI:116735

CHEBI:3030

CHEMBL278172

Chloraseptic

CID2337

D001566

D00552

DAP001234

DB01086

Dermoplast

DivK1c_000932

E1501_SIGMA

EINECS 202-303-5

EPA Pesticide Chemical Code 097001

Ethoform

Ethoforme

Ethyl 4-aminobenzoate

ETHYL 4-AMINOBENZOATE HYDROCHLORIDE

Ethyl 4-aminobenzoate, 98%

Ethyl Aminobenzoate

Ethyl aminobenzoate (JP15)

Ethyl aminobenzoate (VAN)

Ethyl P-Aminobenzoate

ETHYL p-AMINOBENZOATE; [94-09-7]

Ethyl P-Aminophenylcarboxylate

Ethyl PABA

ethyl-4-aminobenzoate hydrochloride

ETHYL-4-AMINOBENZOATE HYDROCHLORIDE; [23239-88-5]

ETHYL-P-AMINOBENZOATE

Ethyl4-aminobenzoate

ETHYLAMINOBENZOATE 4-

ethylaminobenzoate-4

Ethylester Kyseliny P-Aminobenzoove

Ethylester kyseliny p-aminobenzoove [Czech]

Ethylis aminobenzoas

Formate, Benzocaine

H-4-Abz-OEt

HMS1570O05

HMS1920G09

HMS2091M11

HMS502O14

HSDB 7225

Hurricaine

Hydrobromide, Benzocaine

Hydrochloride, Benzocaine

I05-0204

Identhesin

IDI1_000932

INN

INN); Ethyl Aminobenzoate (JAN)

KBio1_000932

KBio2_000474

KBio2_003042

KBio2_005610

KBio3_001408

KBioGR_000658

KBioSS_000474

Keloform

LS-35847

Methanesulfonate, Benzocaine

MFCD00007892

MFCD00012999

MLS001331704

MLS002153970

MolPort-000-871-526

N/A

NCGC00016352-01

NCGC00094598-01

NCGC00094598-02

nchembio.182-comp4

NINDS_000932

Norcain

Norcaine

Norcainum

NSC 122792

NSC 41531

NSC41531

NSC4688

Oprea1_750694

Oprea1_827402

Ora-Jel

Orthesin

Otocain

Outgro

p-(Ethoxycarbonyl)aniline

p-Aminobenzoic acid ethyl ester

P-Aminobenzoic Acid, Ethyl Ester

p-Aminobenzoic ethyl ester

P-Carbethoxyaniline

P-Ethoxycarboxylic Aniline

Parathesin

Parathesin (TN)

Parathesine

Prestwick0_000712

Prestwick1_000712

Prestwick2_000712

Prestwick3_000712

Prestwick_991

SMR000059025

Solarcaine

Solu H

SPBio_000134

SPBio_002844

SPECTRUM1500139

Spectrum2_000117

Spectrum3_000314

Spectrum4_000249

Spectrum5_000860

Spectrum_000074

STK043620

Topcaine

UNII-U3RSY48JW5

USP

USP); Ethyl Aminobenzoate (JAN)

WLN: ZR DVO2

ZINC12358719

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) 1.56 3.93 -6.96 2 3 0 52 165.192 3

Vendor Notes

Note Type Comments Provided By
BP [°C] 172 (p=12.75 torr) Acros Organics
BP 172° Oakwood Chemical
ALOGPS_SOLUBILITY 2.85e+00 g/l DrugBank-approved
BP 310 TCI
Boiling_Point 310? Alfa-Aesar
Boiling_Point 310° Alfa-Aesar
MP 88 - 90 Enamine Building Blocks
M.P 88-90 °C Indofine
MP 88-90° Oakwood Chemical
Melting_Point 88-92? Alfa-Aesar
Melting_Point 88-92° Alfa-Aesar
Mp [°C] 89 - 92 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90 TCI
MP 90 - 92 Enamine Building Blocks
MP 90...92 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Purity 99.8% APIChem
Therapy anesthetic (topical) SMDC Pharmakon
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H317: May cause an allergic skin reaction Acros Organics
Warnings IRRITANT Matrix Scientific
Target Others Selleck Chemicals
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if presen Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
R phrase R36/38: Irritating to eyes and skin.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
S phrase S24: Avoid contact with skin.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Target Sodium Channel Selleck Chemicals
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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