기본 정보
- CAS
338748-57-5- 표준 SMILES
O=C(Nc1cccc(C(F)(F)F)c1)OCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1- InChIKey
RMUYBCKSSFFMTO-UHFFFAOYSA-N- 분자식
- C20H19ClF6N4O2
- 평균 분자량
- 496.8 g/mol
- 단동위원소 질량
- 496.1100725
이름 및 식별자
- 우선 이름
- 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl N-[3-(trifluoromethyl)phenyl]carbamate
- IUPAC
- 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl N-[3-(trifluoromethyl)phenyl]carbamate
- 영어명
- 2-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)ETHYL N-[3-(TRIFLUOROMETHYL)PHENYL]CARBAMATE
- 분자식
- C20H19ClF6N4O2
- 분자량
- 496.83
이름 및 동의어
338748-57-52-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl N-[3-(trifluoromethyl)phenyl]carbamate2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl N-[3-(trifluoromethyl)phenyl]carbamate2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl N-[3-(trifluoromethyl)phenyl]carbamateAKOS0050903524M-9002-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethyl (3-(trifluoromethyl)phenyl)carbamate2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethylN-[3-(trifluoromethyl)phenyl]carbamate2-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)ETHYL N-[3-(TRIFLUOROMETHYL)PHENYL]CARBAMATECarbamic acid, [3-(trifluoromethyl)phenyl]-, 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethyl ester (9CI)
데이터베이스 식별자
- CAS
338748-57-5- PubChem CID
- 5160951
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 57.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 645
물리화학적 성질
- 끓는 점
- 493 · 493.0±45.0 °C(Predicted)
- 밀도
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.19 · 13.19±0.70(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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