2-메틸-옥타히드로-피롤로[3,4-c]피롤

2-Methyloctahydropyrrolo(3,4-c)pyrrole

HCID 12958533

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 86732-28-7
표준 SMILES: CN1CC2CNCC2C1
InChIKey: YQURLNGUWNDBIR-UHFFFAOYSA-N
분자식: C7H14N2
평균 분자량: 126.2 g/mol
단동위원소 질량: 126.11569846

이름 및 식별자

우선 이름: 2-Methyloctahydropyrrolo(3,4-c)pyrrole
IUPAC: 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
현지명: 2-메틸-옥타히드로-피롤로[3,4-c]피롤
영어명: Octahydro-2-methylpyrrolo[3,4-c]pyrrole
분자식: C7H14N2
분자량: 126.2

이름 및 동의어

2-methyloctahydropyrrolo[3,4-c]pyrroleDTXSID805140192-Methyloctahydropyrrolo(3,4-c)pyrroleRefChem:1063839DTXCID6046482686732-28-72-Methyl-octahydro-pyrrolo[3,4-c]pyrrole2-methyl-octahydropyrrolo[3,4-c]pyrroleMFCD096081132-methylhexahydropyrrolo[3,4-c]pyrrole5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrolepyrrolo[3,4-c]pyrrole, octahydro-2-methyl-, dihydrochloride

이름 더 보기

2-메틸-옥타히드로-피롤로[3,4-c]피롤octahydropyrrolo[3,4-c]pyrroleMFCD115063025-Methyloctahydropyrrolo[3,4-c]pyrrolecis-2-Methylhexahydropyrrolo[3,4-c]pyrrole(3aR*,6aS*)-2-methyloctahydropyrrolo[3,4-c]pyrrole(SALTDATA: 2HCl)rac-(3aR,6aS)-2-Methyloctahydropyrrolo[3,4-c]pyrrole dihydrochloride (SALTDATA: 2HCl)

Pyrrolo[3,4-c]pyrrole, octahydro-2-methyl-octahydro-2-methylpyrrolo[3,4-c]pyrroleSCHEMBL477178SCHEMBL477186SCHEMBL16197152SCHEMBL18788068SCHEMBL21807145YQURLNGUWNDBIR-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 86732-28-7
PubChem CID: 12958533
DTXSID: DTXSID80514019
EC Number: 156-029-5

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: 101

물리화학적 성질

끓는 점: 182 ℃ · 182℃
밀도: 0.97 · 0.970
인화점: 73 ℃ · 73℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 10.9 · 10.90±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, 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%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2933998090
risk_code: 41
hazard_code: Xi
safety_code: 26-39

화학 및 산업

응용 분야 · 1건

용도2-Methyloctahydropyrrolo[3,4-c]pyrrole is used as a reagent in the synthesis of novel aryl substituted urea derivatives which can exhibit antimicrobial activity against pathogenic bacteria and fungi. 2-Methyloctahydropyrrolo[3,4-c]pyrrole is also used in the preparation of 3-hydroxyquinazoline-2,4-dione antibacterial agents.