기본 정보
- 표준 SMILES
c1ccc(CN2C[C@@H]3CCCN[C@@H]3C2)cc1- InChIKey
AFYZAHZKOFBVLE-UONOGXRCSA-N- 분자식
- C14H20N2
- 평균 분자량
- 216.32 g/mol
- 단동위원소 질량
- 216.16264864
이름 및 식별자
- 우선 이름
- (4aS-cis-)-6-benzyl-octahydropyrrolo(3.4-b)pyridine
- IUPAC
- (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
- 영어명
- (S,S)-6-Benzyl-octahydro-pyrrolo[3,4-b]pyridine dihydrochloride
- 분자식
- C14H20N2
- 분자량
- 216.32
이름 및 동의어
1H-Pyrrolo[3,4-b]pyridine, octahydro-6-(phenylmethyl)-, (4aS,7aS)-(4aS,7aS)-octahydro-6-(phenylmethyl)-1H-Pyrrolo[3,4-b]pyridineEC 425-930-8(4aS-cis-)-6-Benzyl-octahydropyrrolo(3.4-b)pyridine(4aS-cis-)-6-benzyl-octahydropyrrolo[3.4-b]pyridine(4aS,7aS)-Octahydro-6-(phenylmethyl)-1H-pyrrolo(3,4-b)pyridine1H-Pyrrolo(3,4-b)pyridine, octahydro-6-(phenylmethyl)-, (4aS,7aS)-RefChem:403173425-930-8604-777-2151213-39-7(4aS,7aS)-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine
이름 더 보기
Moxifloxacin Impurity 57(S,S)-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine(S,S)-6-Benzyl-octahydro-pyrrolo[3,4-b]pyridine 2HCl(R,R)-6-Benzyl-octahydro-pyrrolo[3,4-b]pyridine 2HCl(4aS,7aS)-Octahydro-6-(benzyl)-1H-pyrrolo[3,4-b]pyridine(4aS,7aS)-6-benzyloctahydro-1H-pyrrolo[3,4-b]pyridine hydrochloride
Moxifloxacin Impurity 35MFCD06796543(4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine(4aS,7aS)-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridinerac-(4aR,7aR)-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine(S,S)-6-Benzyl-octahydro-pyrrolo[3,4-b]pyridineMoxifloxacin Impurity 227K3Z59URJ8C
데이터베이스 식별자
- CAS
151213-39-7- PubChem CID
- 10198297
- DTXSID
DTXSID501177647- UNII
- K3Z59URJ8C
- EC Number
- 425-930-8、604-777-2
- Nikkaji
- J1.347.145B
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 15.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 223
물리화학적 성질
- 끓는 점
- 322.2 · 322.2±17.0 °C(Predicted)
- 밀도
- 1.049 · 1.049±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 10.99 · 10.99±0.20(Predicted)
안전 및 규제
GHS 분류
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)
Danger
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2235
Hazard Classes and Categories
Acute Tox. 4 (97.4%)
Skin corrosion - category 1B
Acute Tox. 4 *
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
공급사50 곳
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