4-chloro-2-(7,7-dimethyl-1-oxo-1,3,4,6,7,8-hexahydro-2H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazin-2-yl)nicotinaldehyde

HCID 76854078CAS 1434050-55-1

기본 정보

표준 SMILES
CC1(C)Cc2cc3n(c2C1)CCN(c1nccc(Cl)c1C=O)C3=O
InChIKey
PKWFXNWHHJGUPZ-UHFFFAOYSA-N
분자식
C18H18ClN3O2
평균 분자량
343.8 g/mol

이름 및 식별자

우선 이름
4-chloro-2-(7,7-dimethyl-1-oxo-1,3,4,6,7,8-hexahydro-2H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazin-2-yl)nicotinaldehyde
IUPAC
4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)pyridine-3-carbaldehyde
영어명
4-Chloro-2-(7,7-diMethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)nicotinaldehyde
분자식
C18H18ClN3O2
분자량
343.81

이름 및 동의어

1434050-55-14-chloro-2-(7,7-dimethyl-1-oxo-1,3,4,6,7,8-hexahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2-yl)nicotinaldehyde4-chloro-2-(7,7-dimethyl-1-oxo-1,3,4,6,7,8-hexahydro-2H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazin-2-yl)nicotinaldehydeRefChem:520937978-581-34-Chloro-2-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)nicotinaldehydeMFCD281346154-chloro-2-(1,3,4,6,7,8-hexahydro-7,7-dimethyl-1-oxo-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2-yl)-3-Pyridinecarboxaldehyde4-chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)pyridine-3-carbaldehydePKWFXNWHHJGUPZ-UHFFFAOYSA-N4-Chloro-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}pyridine-3-carbaldehydeSCHEMBL14911757
이름 더 보기
EOS-612104-Chloro-2-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-4-chloro-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,?]dodeca-2(6),7-dien-10-yl}pyridine-3-carbaldehyde2-(9-oxo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.0(2,6)]dodeca-2(6),7-dien-10-yl)-4-chloropyridine-3-carbaldehyde4-Chloro-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)pyridine-3-carboxaldehyde
SCHEMBL29741849AKOS024463344BS-42772SY122643CS-0021549F6012434-Chloro-2-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)n4-Chloro-2-[7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl]pyridine-3-carboxaldehyde

데이터베이스 식별자

CAS
1434050-55-1
PubChem CID
76854078
EC Number
978-581-3

물성

구조 계산 물성

XLogP
2.6
극성 표면적
55.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
24

물리화학적 성질

끓는 점
571.2 · 571.2±50.0 °C(Predicted)
밀도
1.42 · 1.42±0.1 g/cm3(Predicted)
산도 계수 (pKa)
1.78 · 1.78±0.10(Predicted)

안전 및 규제

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

공급사33 곳

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