5-메틸-1H-헥사하이드로피롤로[3,4-b]피롤

5-Methyl-octahydropyrrolo(3,4-b)pyrrole

HCID 16228899

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 132414-59-6
표준 SMILES: CN1CC2CCNC2C1
InChIKey: DLUDAUJQMXTXGQ-UHFFFAOYSA-N
분자식: C7H14N2
평균 분자량: 126.2 g/mol
단동위원소 질량: 126.11569846

이름 및 식별자

우선 이름: 5-Methyl-octahydropyrrolo(3,4-b)pyrrole
IUPAC: 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
현지명: 5-메틸-1H-헥사하이드로피롤로[3,4-b]피롤
영어명: 5-Methyl-1H-hexahydropyrrolo[3,4-b]pyrrole
분자식: C7H14N2
분자량: 126.2

이름 및 동의어

5-methyl-octahydropyrrolo[3,4-b]pyrrole5-Methyl-octahydropyrrolo(3,4-b)pyrroleRefChem:537239895-194-4132414-59-65-methyloctahydropyrrolo[3,4-b]pyrrole5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrroleOctahydro-5-methylpyrrolo[3,4-b]pyrrole5-METHYL-1H-HEXAHYDROPYRROLO[3,4-B]PYRROLE5-methyl-octahydro-pyrrolo[3,4-b]pyrrolePyrrolo[3,4-b]pyrrole, octahydro-5-methyl-5-methyl-octahydropyrrolo[2,3-c]pyrrole

이름 더 보기

5-메틸-1H-헥사하이드로피롤로[3,4-b]피롤

MFCD12025507SCHEMBL1222706SCHEMBL2480241SCHEMBL20521685DTXSID70585551DLUDAUJQMXTXGQ-UHFFFAOYSA-NHFA41459MFCD09702262

데이터베이스 식별자

CAS: 132414-59-6
PubChem CID: 16228899
DTXSID: DTXSID70585551
EC Number: 895-194-4

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 113

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

화학 및 산업

응용 분야

용도5-Methyl-1H-hexahydropyrrolo[3,4-b]pyrrole can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.