Methyl 3-(4-aminophenyl)propanoate

HCID 417374

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Basic information

CAS: 35418-07-6
Standard SMILES: COC(=O)CCc1ccc(N)cc1
InChIKey: LXHNQRGWWMORLQ-UHFFFAOYSA-N
Molecular formula: C10H13NO2
Average molar mass: 179.22 g/mol
Monoisotopic mass: 179.09462866

Names & identifiers

Preferred name: Methyl 3-(4-aminophenyl)propanoate
IUPAC: methyl 3-(4-aminophenyl)propanoate
English name: Methyl 3-(4-aMinophenyl)propionate
Molecular formula: C10H13NO2
Molecular weight: 179.22

Names & synonyms

methyl 3-(4-aminophenyl)propanoate35418-07-6DTXSID60329103RefChem:814869DTXCID60280205818-128-8methyl 3-(4-aminophenyl)propionateMFCD00546554methyl 3-[4-aminophenyl]propionateBenzenepropanoic acid, 4-amino-, methyl esterMethyl 3-(4-aminophenyl)NCIOpen2_006207

Show more names

Oprea1_504928SCHEMBL223653orb3175818CHEMBL2252083LXHNQRGWWMORLQ-UHFFFAOYSA-Nmethyl3-(4-aminophenyl)propanoateKBA41807BBL028749

Database identifiers

CAS: 35418-07-6
PubChem CID: 417374
DTXSID: DTXSID60329103
ChEMBL: CHEMBL2252083
EC Number: 818-128-8
Nikkaji: J656.084I

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 162

Physicochemical properties

Melting point: 51 · 51-52°
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Appearance: Off-white to light brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 264 · P264-P280-P337+P313-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.