2-(2-클로로-아세틸아미노)-5-디메틸카르바모일-4-메틸-티오펜-3-카르복실산에틸에스테르
2-(2-Chloro-acetylamino)-5-dimethylcarbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester
기본 정보
- CAS
546116-25-0- 표준 SMILES
CCOC(=O)c1c(NC(=O)CCl)sc(C(=O)N(C)C)c1C- InChIKey
NUONTUPPOOBZDU-UHFFFAOYSA-N- 분자식
- C13H17ClN2O4S
- 평균 분자량
- 332.8 g/mol
이름 및 식별자
- 우선 이름
- 2-(2-Chloro-acetylamino)-5-dimethylcarbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-[(2-chloroacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
- 현지명
- 2-(2-클로로-아세틸아미노)-5-디메틸카르바모일-4-메틸-티오펜-3-카르복실산에틸에스테르
- 영어명
- 2-(2-Chloro-acetylamino)-5-dimethylcarbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester
- 분자식
- C13H17ClN2O4S
- 분자량
- 332.8
이름 및 동의어
546116-25-02-(2-Chloro-acetylamino)-5-dimethylcarbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl esterethyl 2-(2-chloroacetamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylateMFCD03396357ethyl 2-[(2-chloroacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylateethyl 2-[(chloroacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylateEthyl 2-(2-chloroacetamido)-5-(dimethylformamide)-4-methylthiophene-3-carboxylateethyl 2-[(chloroacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylateethyl 5-(N,N-dimethylcarbamoyl)-2-(2-chloroacetylamino)-4-methylthiophene-3-ca rboxylateEthyl 2-[(chloroacetyl)amino]-5-[(dimethylamino)-carbonyl]-4-methylthiophene-3-carboxylateALBB-002439BBL017829
이름 더 보기
2-(2-클로로-아세틸아미노)-5-디메틸카르바모일-4-메틸-티오펜-3-카르복실산에틸에스테르Ethyl 2-[(chloroacetyl)amino]-5-[(dimethylamino)-carbonyl]-4-methylthiophene-3-caethyl 2-[(chloroacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxy3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methyl-, ethyl ester
SBB078000STK483414AKOS001072902VS-06528CS-0307671ST50936775EN300-04590G38304
데이터베이스 식별자
- CAS
546116-25-0
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 419
물리화학적 성질
- 끓는 점
- 555 · 555.0±50.0 °C(Predicted)
- 밀도
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.66 · 11.66±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- hazard_code
- Xi
- 위험 등급
- IRRITANT
관련 반응
0건
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