CAS 863127-76-8 (E)-N-(2-Chloro-6-methylphenyl)-3-ethoxyacrylamide (HCID 44557928)

기본 정보

CAS: 863127-76-8
표준 SMILES: CCO/C=C/C(=O)Nc1c(C)cccc1Cl
InChIKey: DBYFNZJHXGNAGW-BQYQJAHWSA-N
분자식: C12H14ClNO2
평균 분자량: 239.7 g/mol
단동위원소 질량: 239.0713064

이름 및 식별자

우선 이름: (E)-N-(2-Chloro-6-methylphenyl)-3-ethoxyacrylamide
IUPAC: (E)-N-(2-chloro-6-methylphenyl)-3-ethoxyprop-2-enamide
현지명: (E)-N-(2-클로로-6-메틸페닐)-3-에톡시아크릴아미드
영어명: (E)-N-(2-Chloro-6-methylphenyl)-3-ethoxyacrylamide
분자식: C12H14ClNO2
분자량: 239.7

이름 및 동의어

(E)-N-(2-Chloro-6-methylphenyl)-3-ethoxyacrylamide863127-76-8MFCD13185963(E)-N-(2-chloro-6-methylphenyl)-3-ethoxyprop-2-enamide2-Propenamide, N-(2-chloro-6-methylphenyl)-3-ethoxy-, (2E)-(2e)-n-(2-chloro-6-methylphenyl)-3-ethoxy-2-propenamide(2E)-N-(2-CHLORO-6-METHYLPHENYL)-3-ETHOXYPROP-2-ENAMIDEDasatinib Impurity 41J2YJ7KQ88ZSCHEMBL93826SKL777(E)-N-(2-chloro-6-methyl-phenyl)-3-ethoxyl acrylamide

이름 더 보기

(E)-N-(2-클로로-6-메틸페닐)-3-에톡시아크릴아미드(Z)-N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide(E) - N - (2-chloro-6-methylphenyl) -5-thiazolamide(2E)-N-(2-Chloro-6-methylphenyl)-3-ethoxy-acrylamide

DBYFNZJHXGNAGW-BQYQJAHWSA-N2-Propenamide,N-(2-chloro-6-methylphenyl)-3-ethoxy-, (2E)-AKOS015890090AC-8960DS-18611FC149928SY033793DB-076596

데이터베이스 식별자

CAS: 863127-76-8

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 255

물리화학적 성질

녹는점: 98 · 98-103 °C
끓는 점: 386.5 · 386.5±42.0 °C(Predicted)
밀도: 1.197 · 1.197
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 11.57 · 11.57±0.70(Predicted)
InChI: InChI=1S/C12H14ClNO2/c1-3-16-8-7-11(15)14-12-9(2)5-4-6-10(12)13/h4-8H,3H2,1-2H3,(H,14,15)/b8-7+
InChIKey: DBYFNZJHXGNAGW-BQYQJAHWSA-N
SMILES: C(NC1=C(C)C=CC=C1Cl)(=O)/C=C/OCC