Ethyl 4-aminocinnamate

HCID 736317

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Basic information

CAS: 198195-25-4
Standard SMILES: CCOC(=O)/C=C/c1ccc(N)cc1
InChIKey: NRPMBSHHBFFYBF-VMPITWQZSA-N
Molecular formula: C11H13NO2
Average molar mass: 191.23 g/mol

Names & identifiers

Preferred name: Ethyl 4-aminocinnamate
IUPAC: ethyl (E)-3-(4-aminophenyl)prop-2-enoate
English name: ethyl (E)-3-(4-aminophenyl)prop-2-enoate
Molecular formula: C11H13NO2
Molecular weight: 191.23

Names & synonyms

Ethyl 4-aminocinnamate5048-82-8198195-25-4Ethyl p-aminocinnamate4-aminocinnamic acid ethyl ester(E)-Ethyl 4-aminocinnamateEthyl trans-4-aminocinnamate2-Propenoic acid, 3-(4-aminophenyl)-, ethyl esterE61E38U5S1NSC 44439UNII-E61E38U5S1EINECS 225-747-1

Show more names

(E)-Ethyl3-(4-aminophenyl)acrylateEthyl (E)-3-(4-aminophenyl)acrylateethyl (E)-3-(4-aminophenyl)prop-2-enoate

2-Propenoic acid, 3-(4-aminophenyl)-, ethyl ester, (2E)-NSC-444392-Propenoic acid, 3-(4-aminophenyl)-, ethyl ester, (E)-DTXSID1063691RefChem:138752DTXCID4040844NRPMBSHHBFFYBF-VMPITWQZSA-NEthyl 3-(4-aminophenyl)acrylate

Database identifiers

CAS: 198195-25-4、5048-82-8
PubChem CID: 736317
UNII: E61E38U5S1
EC Number: 225-747-1、883-847-6
Nikkaji: J1.254.160K、J83.269C

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 205

Physicochemical properties

Melting point: 68 · 68-69 °C
Boiling point: 347 · 347.0±25.0 °C(Predicted)
Density: 1.13 · 1.130±0.06 g/cm3(Predicted)
pka: 2.89 · 2.89±0.10(Predicted)
FDA UNII: 61 E38U5S1 · E61E38U5S1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313