Molecule structure of 3-Aminophenylacetic acid (CAS NO.14338-36-4):
IUPAC Name: 2-(3-Aminophenyl)acetic acid
Molecular Weight: 151.16256 g/mol
Molecular Formula: C8H9NO2
Density: 1.268 g/cm3
Melting Point: 147-150 °C(lit.)
Flash Point: 165.3 °C
Boiling Point: 349.8 °C at 760 mmHg
Index of Refraction: 1.615
Vapour Pressure: 1.72E-05 mmHg at 25 °C
XLogP3: 1
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 151.063329
MonoIsotopic Mass: 151.063329
Topological Polar Surface Area: 63.3
Heavy Atom Count: 11
Canonical SMILES: C1=CC(=CC(=C1)N)CC(=O)O
InChI: InChI=1S/C8H9NO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKey: XUSKZLBLGHBCLD-UHFFFAOYSA-N
Product Categories: Aromatic Phenylacetic Acids and Derivatives; Aromatic Esters; Phenylacetic acid; Aromatics Compounds; Aromatics; Others; Peptide Synthesis; Unnatural Amino Acid Derivatives
3-Aminophenylacetic acid (14338-36-4) is a useful synthetic intermediate.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
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.
WGK Germany: 3
3-Aminophenylacetic acid (CAS NO.14338-36-4) is also named as 3-Aminobenzeneacetic acid ; Benzeneacetic acid, 3-amino- . 3-Aminophenylacetic acid (CAS NO.14338-36-4) is light beige solid.
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