기본 정보
- CAS
3543-73-5- 표준 SMILES
CCOC(=O)CCCc1nc2cc(N)ccc2n1C- InChIKey
JUMGOLYNZBZPKE-UHFFFAOYSA-N- 분자식
- C14H19N3O2
- 평균 분자량
- 261.32 g/mol
- 단동위원소 질량
- 261.14772685
이름 및 식별자
- 우선 이름
- Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate
- IUPAC
- ethyl 4-(5-amino-1-methylbenzimidazol-2-yl)butanoate
- 현지명
- 1-메틸-5-아미노-1H-벤즈이미다졸-2-부탄산에틸에스테르
- 영어명
- 1-Methyl-5-amino-1H-benzimidazole-2-butanoic acid ethyl ester
- 분자식
- C14H19N3O2
- 분자량
- 261.32
이름 및 동의어
3543-73-5RefChem:595649Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate1-Methyl-5-amino-1H-benzimidazole-2-butanoic acid ethyl esterethyl 4-(5-amino-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate5-Amino-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester5-amino-1-methyl-2-Benzimidazolebutyric acid ethyl esterethyl 4-(5-amino-1-methylbenzimidazol-2-yl)butanoateMFCD09840909ethyl 4-(5-amino-1-methyl-1H-benzimidazol-2-yl)butanoateethyl 4-(5-amino-1-methyl-1H-1,3-benzimidazol-2-yl)butanoateBendamustine Impurity 19
이름 더 보기
1-메틸-5-아미노-1H-벤즈이미다졸-2-부탄산에틸에스테르Bendamustine IntermediateBendamustine intermediate 31-Methyl-5-amino-1H-benzimidazole-2BendaMustine hydrochloride interMediateendamustine Dideschloroethyl Ethyl EsterBendaMustine Dideschloroethyl Ethyl EsterBendamustine hydrochloride Intermediates 24-(5-amino-1-methyl-1H-benzimidazol-2-yl)butanoate
4-(5-AMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YL)-BUTYRIC ACID ETHYL ESTER4-[5-amino-1-methylbenzimidazol-2-yl]butanoic acid ethyl esterEthyl 4-[5-amino-1-methyl-1H-benzimidazol-2-yl)butanoateJUMGOLYNZBZPKE-UHFFFAOYSA-N1-Methyl-5-amino-1H-benzimidazole-2-butanoic Acid Ethyl Ester; 2-Benzimidazolebutyric acid, 5-amino-1-methyl-, ethyl ester (7CI,8CI); 4-[5-Amino-1-methylbenzimidazol-2-yl]butanoic acid ethyl ester; Ethyl 1-methyl-5-amino-1H-benzimidazole-2-butanoate5-AMino-1-Methyl-Bendamustine Impurity 4ethyl 4-(5-amino-1-methyl-benzimidazol-2-yl)butanoate
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 70.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 311
물리화학적 성질
- 녹는점
- 130 · 130-135°C
- 끓는 점
- 471.6 · 471.6±25.0 °C(Predicted)
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 6.73 · 6.73±0.10(Predicted)
- 색상
- 미색부터 페일 베이지까지
- InChI
- InChI=1S/C14H19N3O2/c1-3-19-14(18)6-4-5-13-16-11-9-10(15)7-8-12(11)17(13)2/h7-9H,3-6,15H2,1-2H3
- InChIKey
- JUMGOLYNZBZPKE-UHFFFAOYSA-N
- SMILES
- C1(CCCC(OCC)=O)N(C)C2=CC=C(N)C=C2N=1
화학적 성질
Brown Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P317, P318, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- HS 번호
- 2933998090
화학 및 산업
응용 분야
용도1-Methyl-5-amino-1H-benzimidazole-2-butanoic Acid Ethyl Ester is a Bendamustine impurity.
상·하류 제품 정보
하류 제품
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安徽省大利生物科技有限责任公司15705632007 · [email protected]
Syntechem Co.,Ltd[email protected]
관련 반응
1건
화합물 노트
불러오는 중…