2-클로로-N-(2-(3,4-디메톡시페닐)에틸)아세트아미드

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

HCID 26622

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 14301-31-6
표준 SMILES: COc1ccc(CCNC(=O)CCl)cc1OC
InChIKey: WWBJEBQJHYKQHM-UHFFFAOYSA-N
분자식: C12H16ClNO3
평균 분자량: 257.71 g/mol
단동위원소 질량: 257.08187105

이름 및 식별자

우선 이름: 2-Chloro-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide
IUPAC: 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
현지명: 2-클로로-N-(2-(3,4-디메톡시페닐)에틸)아세트아미드
영어명: 2-Chloro-N-(2-(3,4-dimethoxyphenyl)ethyl)acetamide
분자식: C12H16ClNO3
분자량: 257.71

이름 및 동의어

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

이름 더 보기

2-클로로-N-(2-(3,4-디메톡시페닐)에틸)아세트아미드AKOS 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 47.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 17
형식 전하: 0
복잡도: 238

물리화학적 성질

녹는점: 96 °C · 96 °C
끓는 점: 437.3 · 437.3±45.0 °C(Predicted)
밀도: 1.168 · 1.168±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 13.94 · 13.94±0.46(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.