2-Phenylglycine

HCID 3866

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Basic information

CAS: 2835-06-5
Standard SMILES: NC(C(=O)O)c1ccccc1
InChIKey: ZGUNAGUHMKGQNY-UHFFFAOYSA-N
Molecular formula: C8H9NO2
Average molar mass: 151.16 g/mol
Monoisotopic mass: 151.06332853

Overview

Alpha-phenylglycine is an amino acid with a structure in which a phenyl ring is bonded to the alpha-carbon of glycine. It has a role as a human metabolite.

Names & identifiers

Preferred name: 2-Phenylglycine
IUPAC: 2-amino-2-phenylacetic acid
English name: 2-Aminophenylacetic acid
Molecular formula: C8H9NO2
Molecular weight: 151.16

Names & synonyms

2-Phenylglycine69-91-0RefChem:861739(+-)-ALPHA-PHENYLGLYCINE2-Amino-2-phenylacetic acid2835-06-5DL-alpha-PhenylglycineH-DL-Phg-OHDL-2-PhenylglycineDL-PhenylglycineAmino(phenyl)acetic acidALPHA-PHENYLGLYCINE

Show more names

a-PhenylglycineRARECHEM AL BO 1334O-AMINOPHENYLACETIC ACID2-(2-AMINOPHENYL)ACETIC ACIDalpha-Toluic acid, alpha-amino-5-acetoxy-2-amino-4-methoxybenzoic acidN-(carbamoylamino)carbamic acid ethyl ester

aminophenylacetic acidalpha-Aminophenylacetic acidPhenylglycine dlAmino-phenyl-acetic acidDL-a-phenylglycinealpha-Aminobenzeneacetic acidDL-|A-PhenylglycineGlycine, 2-phenyl-

Database identifiers

CAS: 2835-06-5、2935-35-5、69-91-0
PubChem CID: 3866
DTXSID: DTXSID70862455
ChEMBL: CHEMBL131226
ChEBI: CHEBI:55484
UNII: 96S7ZZ1KHE
EC Number: 200-719-1、220-608-1
Nikkaji: J27.578F

Properties

Computed structural properties

XLogP: -1.7
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 141

Experimental & physicochemical properties

LogP-2.07

Solubility115 mg/mL at 100 °C

Melting Point290 °C

Physical DescriptionSolid

Physicochemical properties

Melting point: 123 · 123-127 °C(lit.)
Boiling point: 273.17 °C · 273.17°C (rough estimate)
Density: 1.2023 · 1.2023 (rough estimate)
refractive index: 1.5635 · 1.5635 (rough estimate)
CAS DataBase Reference: 69 · 69-91-0(CAS DataBase Reference)
FDA UNII: 96 S7ZZ1KHE · 96S7ZZ1KHE
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3

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)

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

Hazard information

Regulatory InformationBenzeneacetic acid, .alpha.-amino-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Uses & manufacturing

General Manufacturing InformationBenzeneacetic acid, .alpha.-amino-: ACTIVE

Upstream & downstream products

Upstream raw materials

Suppliers9 total

Syntechem Co.,Ltd[email protected]

陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]

陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]

心邀（深圳）生物科技有限公司0755-89880280 · [email protected]

厦门盈融达化工有限公司+86-0592-6210733 · [email protected]

Additional notes

DefinitionChEBI: Alpha-phenylglycine is an amino acid with a structure in which a phenyl ring is bonded to the alpha-carbon of glycine. It has a role as a human metabolite.