N-(2-phenylethyl)acetamide

HCID 70143

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Basic information

CAS: 877-95-2
Standard SMILES: CC(=O)NCCc1ccccc1
InChIKey: MODKMHXGCGKTLE-UHFFFAOYSA-N
Molecular formula: C10H13NO
Average molar mass: 163.22 g/mol
Monoisotopic mass: 163.09971404

Overview

N-acetylphenylethylamine is a N-acetyl-2-arylethylamine.

Names & identifiers

Preferred name: N-(2-phenylethyl)acetamide
IUPAC: N-(2-phenylethyl)acetamide
English name: N-ACETYL-2-PHENYLETHYLAMINE
Molecular formula: C10H13NO
Molecular weight: 163.22

Names & synonyms

N-PhenethylacetamideN-(2-Phenylethyl)acetamide877-95-2N-Acetyl-2-phenylethylamineN-AcetylphenethylamineAcetamide, N-(2-phenylethyl)-N-AcetylphenylethylamineN-beta-PhenylethylacetamideN-(2-phenylethyl)-acetamide2JXY218SZINSC-7177CHEBI:18177

Show more names

NSC 7177n-phenethyl-acetamidGlipizide Impurity 15N-phenethylacetramideGlipizide Impurity 1Glipizide impurity 26(2-Phenethyl)acetamide

DTXSID50236574Acetamide, N-phenethylRefChem:828851Acetamide, N-(2-phenylethyl)DTXCID80159065212-897-8N-(Phenethyl)acetamideAcetamide, N-phenethyl-

Database identifiers

CAS: 877-95-2
PubChem CID: 70143
DTXSID: DTXSID50236574
ChEMBL: CHEMBL99827
ChEBI: CHEBI:18177
UNII: 2JXY218SZI
EC Number: 212-897-8
Nikkaji: J101.475G

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 139

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 48 · 48-52 °C
Boiling point: 154 °C · 154 °C / 2mmHg
Density: 1.012 · 1.012
refractive index: 1.54 · 1.5400 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 16.17 · 16.17±0.46(Predicted)
color: White to Off-White
InChI: InChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
InChIKey: MODKMHXGCGKTLE-UHFFFAOYSA-N
SMILES: C(NCCC1=CC=CC=C1)(=O)C
CAS DataBase Reference: 877 · 877-95-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 2 JXY218SZI · 2JXY218SZI
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Safety Statements: 24 · 24/25
RTECS: 7740000 · AC7740000
HS Code: 29241900 · 29241900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

rtecs: AC7740000
hs_code: 29241900
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H302-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P