기본 정보
- CAS
872-32-2- 표준 SMILES
CC1=NCCC1- InChIKey
CTSZPNIMMLSKDV-UHFFFAOYSA-N- 분자식
- C5H9N
- 평균 분자량
- 83.13 g/mol
- 단동위원소 질량
- 83.07349929
이름 및 식별자
- 우선 이름
- 2-Methyl-1-pyrroline
- IUPAC
- 5-methyl-3,4-dihydro-2H-pyrrole
- 현지명
- 2-메틸-1-피롤린
- 영어명
- 2-Methyl-1-pyrroline
- 분자식
- C5H9N
- 분자량
- 83.13
이름 및 동의어
2-Methyl-1-pyrroline5-methyl-3,4-dihydro-2H-pyrrole3,4-Dihydro-5-methyl-2H-pyrroleEINECS 212-822-9PUN2A487KLCHEBI:78856DTXSID302361734,5-DIHYDRO-2-METHYL-3H-PYRROLERefChem:88014DTXCID30158664InChI=1/C5H9N/c1-5-3-2-4-6-5/h2-4H2,1H872-32-2
이름 더 보기
2-메틸-1-피롤린2-Methylpyrroline2-methyl-1H-pyrroline2-Methyl-1-pyrroline(2H)2-Methyl-1-pyrroline,98%2-Methyl-1-pyrroline 95%2-Methyl-1-pyrroline, 98% 25ML2-Methyl-1-pyrroline≥ 99% (GC)
MFCD001288062H-pyrrole, 3,4-dihydro-5-methyl-3,4-Dihydro-5-methyl-2H-pyrrole;2-Methyl-1-pyrroline;2-Methyl-delta1-pyrroline;4,5-Dihydro-2-methyl-3H-pyrrole;5-Methyl-3,4-dihydro-2H-pyrrole;UNII-PUN2A487KLSCHEMBL648552-Methyl-1-pyrroline, 95%orb1944090orb2900409
데이터베이스 식별자
- CAS
872-32-2- PubChem CID
- 70103
- DTXSID
DTXSID30236173- ChEBI
CHEBI:78856- UNII
- PUN2A487KL
- EC Number
- 212-822-9
- Nikkaji
- J45.716G
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 12.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 74
물리화학적 성질
- 끓는 점
- 104 · 104-105 °C(lit.)
- 밀도
- 0.878 g/mL · 0.878 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.444(lit.)
- 인화점
- 51 °F · 51 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 클로로포름(소량으로 용해), 메탄올(소량으로 용해)
- 물리적 상태
- 결정질 분말 및/또는 덩어리
- 산도 계수 (pKa)
- 8.41 · 8.41±0.20(Predicted)
- 색상
- 흰색에서 연한 노란색, 베이지색까지
- 수용성
- 녹는
- InChI
- InChI=1S/C5H9N/c1-5-3-2-4-6-5/h2-4H2,1H3
- InChIKey
- CTSZPNIMMLSKDV-UHFFFAOYSA-N
- SMILES
- N1=C(C)CCC1
화학적 성질
clear colorless to yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (91.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (91.1%)；Eye Irrit. 2 (91.1%)；STOT SE 3 (91.1%)
안전 데이터
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- HS 번호
- 29339900
- risk_code
- 11-36/37/38-34-/11
- hazard_code
- F,Xi
- safety_code
- 16-26-33-45-36/37/39-/16
- 포장분류
- II
- 위험 등급
- 3
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
화학 및 산업
응용 분야
용도2-Methyl-1-pyrroline acts as monocyclic imine. It is a pharmaceutical intermediate.
일반 설명2-Methyl-1-pyrroline, a monocyclic imine, is a pyrroline derivative. It is a five-membered heterocyclic compound having various biological and pharmacological applications. It is formed during the Rh(I) complexes (containing N,N-donor ligands and N,P-donor ligand) immobilized on glassy carbon electrode surfaces catalyzed intramolecular hydroamination of 4-pentyn-1-amine. It reacts with with 2-oxopropanal to afford acetyl-1-pyrroline (AP).
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