CAS 1664-54-6 3-(3-Aminophenyl)propionic acid (HCID 2735406)

Substructure search Find similar structures

Basic information

CAS: 1664-54-6
Standard SMILES: Nc1cccc(CCC(=O)O)c1
InChIKey: SBHFVSXLYOBZKD-UHFFFAOYSA-N
Molecular formula: C9H11NO2
Average molar mass: 165.19 g/mol
Monoisotopic mass: 165.07897859

Names & identifiers

Preferred name: 3-(3-Aminophenyl)propionic acid
IUPAC: 3-(3-aminophenyl)propanoic acid

Names & synonyms

1664-54-63-(3-Aminophenyl)propionic acidRefChem:92293670-495-13-(3-aminophenyl)propanoic acidBenzenepropanoic acid, 3-amino-MFCD00153889ChemDiv2_001856m-Aminohydrozimtsaure3-aminobenzenepropanoic acidSCHEMBL3607233-(3-aminophenyl)propanoicacid

Show more names

DTXSID5013032963-(3-amino-phenyl)-propionic acidPS-6140SB760803-aminophenylpropanoic acidAMY38603-amino dihydrocinnamic acid3-Amino-benzenepropanoic acid

Database identifiers

CAS: 1664-54-6
PubChem CID: 2735406
DTXSID: DTXSID501303296
EC Number: 670-495-1
Nikkaji: J80.278F

Properties

Computed structural propertiesFilling in

XLogP: 1
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 159

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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.