2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide

HCID 26622

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Basic information

CAS: 14301-31-6
Standard SMILES: COc1ccc(CCNC(=O)CCl)cc1OC
InChIKey: WWBJEBQJHYKQHM-UHFFFAOYSA-N
Molecular formula: C12H16ClNO3
Average molar mass: 257.71 g/mol
Monoisotopic mass: 257.08187105

Names & identifiers

Preferred name: 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide
IUPAC: 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
English name: 2-Chloro-N-(2-(3,4-dimethoxyphenyl)ethyl)acetamide
Molecular formula: C12H16ClNO3
Molecular weight: 257.71

Names & synonyms

2-CHLORO-N-(2-(3,4-DIMETHOXY-PHENYL)-ETHYL)-ACETAMIDE2-Chloro-N-[2-(3,4-dimethoxy-phenyl)-ethyl]-acetamideRefChem:469990651-694-214301-31-62-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide2-Chloro-N-(3,4-dimethoxyphenethyl)acetamideACETAMIDE, 2-CHLORO-N-(3,4-DIMETHOXYPHENETHYL)-2-CHLORO-N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)ACETAMIDEMFCD00187582N-(Chloroacetyl)-2-(3,4-dimethoxyphenyl)ethylamineNSC-46829

Show more names

AKOS 221-06N-Chloroacetyl-3,4-dimethoxyphenethylamine2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide

Acetamide, 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-NSC 46829N-[2-(3,4-dimethoxyphenyl)ethyl]-2-chloroacetamideBRN 2813319NSC468297Q8RZ48QEBSCHEMBL9051137alpha-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

Database identifiers

CAS: 14301-31-6
PubChem CID: 26622
DTXSID: DTXSID10162289
UNII: 7Q8RZ48QEB
EC Number: 651-694-2
Nikkaji: J643.496G

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 238

Physicochemical properties

Melting point: 96 °C · 96 °C
Boiling point: 437.3 · 437.3±45.0 °C(Predicted)
Density: 1.168 · 1.168±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 13.94 · 13.94±0.46(Predicted)
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

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 40 reports by companies from 2 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

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H302
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501