에틸3-메틸-2-니트로-3H-이미다졸-4-카르복실레이트

Ethyl 1-methyl-2-nitro-1H-imidazole-5-carboxylate

HCID 329608

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 39070-13-8
표준 SMILES: CCOC(=O)c1cnc([N+](=O)[O-])n1C
InChIKey: VRARWXJAWCRJCX-UHFFFAOYSA-N
분자식: C7H9N3O4
평균 분자량: 199.16 g/mol
단동위원소 질량: 199.05930578

이름 및 식별자

우선 이름: Ethyl 1-methyl-2-nitro-1H-imidazole-5-carboxylate
IUPAC: ethyl 3-methyl-2-nitroimidazole-4-carboxylate
현지명: 에틸3-메틸-2-니트로-3H-이미다졸-4-카르복실레이트
영어명: Ethyl 3-Methyl-2-nitro-3H-iMidazole-4-carboxylate
분자식: C7H9N3O4
분자량: 199.16

이름 및 동의어

39070-13-8Ethyl 1-methyl-2-nitro-1H-imidazole-5-carboxylateETHYL 3-METHYL-2-NITRO-3H-IMIDAZOLE-4-CARBOXYLATEethyl 3-methyl-2-nitroimidazole-4-carboxylateEthyl 1-Methyl-2-nitroiMidazole-5-carboxylateMFCD17926380NSC3133985-carbethoxy-1-methyl-2-nitroimidazoleSCHEMBL1978459DTXSID60317247VRARWXJAWCRJCX-UHFFFAOYSA-NAKOS027252914

이름 더 보기

에틸3-메틸-2-니트로-3H-이미다졸-4-카르복실레이트1-methyl-2-nitro-1H-imidazole-5-carboxylateethyl 1-N-methyl-2-nitro-1H-imidazole-5-carboxylateEthyl 3-Methyl-2-nitro-3H-iMidazole-4-carboxylate-51H-IMidazole-5-carboxylic acid, 1-Methyl-2-nitro-, ethyl ester

NSC-313398AS-37786SY242479DB-095925ethyl 3-methyl-2-nitro-imidazole-4-carboxylateEthyl1-methyl-2-nitro-1H-imidazole-5-carboxylateF468484

데이터베이스 식별자

CAS: 39070-13-8
PubChem CID: 329608
DTXSID: DTXSID60317247
Nikkaji: J1.152.288B

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 89.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 240

물리화학적 성질

끓는 점: 379.2 · 379.2±34.0 °C(Predicted)
밀도: 1.42 · 1.42±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): -1.61 · -1.61±0.25(Predicted)
InChI: InChI=1S/C7H9N3O4/c1-3-14-6(11)5-4-8-7(9(5)2)10(12)13/h4H,3H2,1-2H3
InChIKey: VRARWXJAWCRJCX-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)N(C)C(C(OCC)=O)=CN=1

화학 및 산업

응용 분야

용도Ethyl 3-Methyl-2-nitro-3H-iMidazole-4-carboxylate is a pharmaceutical intermediate compound that can be used in organic synthetic materials or pharmaceutical product preparation.

상·하류 제품 정보

상류 원료

2-아미노-3-메틸-3H-이미다졸-4-카르복실산에틸에스테르

하류 제품

1-메틸-2-니트로-1H-이미다졸-5-카르복실산

공급사50 곳

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

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