CAS 15962-46-6 N-Acetyl-DL-phenylglycine (HCID 85935)

Substructure search Find similar structures

Basic information

CAS: 15962-46-6
Standard SMILES: CC(=O)NC(C(=O)O)c1ccccc1
InChIKey: VKDFZMMOLPIWQQ-UHFFFAOYSA-N
Molecular formula: C10H11NO3
Average molar mass: 193.2 g/mol

Names & identifiers

Preferred name: N-Acetyl-DL-phenylglycine
IUPAC: 2-acetamido-2-phenylacetic acid
English name: Ac-DL-Phg-OH
Molecular formula: C10H11NO3
Molecular weight: 193.2

Names & synonyms

N-ACETYL-DL-PHENYLGLYCINERefChem:828874AC-DL-PHG-OH15962-46-6(Acetylamino)(phenyl)acetic acid2-acetamido-2-phenylacetic acidACETYL-DL-PHENYLGLYCINE2-(acetylamino)-2-phenylacetic acidMFCD00055924N-Acetyl-DL-2-phenylglycine(1)-(Acetamido)phenylacetic acidOprea1_138853

Show more names

FMoc.lys(AC)AC-DL-PHENYLGLYCINEAC-DL-PHG-OH USP/EP/BP2-acetamido-2-phenylaceticaciN-ALPHA-ACETYL-DL-PHENYLGLYCINE

Benzeneacetic acid, alpha-(acetylamino)-HMS548G15AKOS000131415SY050778(+/-)-alpha-(Acetylamino)phenylacetic AcidH10778F2147-069029633-99-6

Database identifiers

CAS: 15962-46-6、29633-99-6
PubChem CID: 85935
DTXSID: DTXSID70936140
UNII: XFW9FFB4ZP
EC Number: 240-098-4
Nikkaji: J128.134H

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 221

Physicochemical properties

Melting point: 197 °C · 197 °C
Boiling point: 439.2 · 439.2±38.0 °C(Predicted)
Density: 1.233 · 1.233±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: Powder
pka: 3.17 · 3.17±0.10(Predicted)
color: White
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 300 · H300+H310+H330
Precautionary statements: 501 · P501-P260-P270-P262-P271-P264-P280-P284-P361+P364-P301+P310+P330-P302+P352+P310-P304+P340+P310-P403+P233-P405
HS Code: 2916399090 · 2916399090

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2916399090
Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H300+H310+H330
Precautionary statements: P501-P260-P270-P262-P271-P264-P280-P284-P361+P364-P301+P310+P330-P302+P352+P310-P304+P340+P310-P403+P233-P405