(R)-(-)-1-메틸-3-피롤리디놀

1-Methyl-3-pyrrolidinol, (-)-

HCID 6951332

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 104641-60-3
표준 SMILES: CN1CC[C@@H](O)C1
InChIKey: FLVFPAIGVBQGET-RXMQYKEDSA-N
분자식: C5H11NO
평균 분자량: 101.15 g/mol
단동위원소 질량: 101.08406397

이름 및 식별자

우선 이름: 1-Methyl-3-pyrrolidinol, (-)-
IUPAC: (3R)-1-methylpyrrolidin-3-ol
현지명: (R)-(-)-1-메틸-3-피롤리디놀
영어명: (R)-(-)-1-Methyl-3-pyrrolidinol
분자식: C5H11NO
분자량: 101.15

이름 및 동의어

104641-60-3(3R)-1-methylpyrrolidin-3-ol(R)-1-Methyl-3-pyrrolidinol(R)-(-)-1-Methyl-3-pyrrolidinol(R)-(-)-1-Methyl-3-hydroxypyrrolidine3-Pyrrolidinol, 1-methyl-, (3R)-(3r)-1-methyl-3-pyrrolidinol1-Methyl-3-pyrrolidinol, (R)-1-Methyl-3-pyrrolidinol, (-)-3-Pyrrolidinol, 1-methyl-, (R)-6HVW4EW50XDTXSID30426239

이름 더 보기

(R)-(-)-1-메틸-3-피롤리디놀UNII:CGW2AL7PQ7Glycopyrrolate Impurity 22(R)-N-Methyl-3-pyrrolidinol(S)-3-Hydroxy-1-methylpyr...-(-)-1-Methyl-3-pyrrolidinol

RefChem:434261DTXCID10377073626-120-9(R)-3-Hydroxy-1-methyl-pyrrolidine(R)-3-Hydroxy-1-methylpyrrolidine(R)-1-methylpyrrolidin-3-olMFCD03788747Glycopyrrolate Impurity 9

데이터베이스 식별자

CAS: 104641-60-3
PubChem CID: 6951332
DTXSID: DTXSID30426239
UNII: 6HVW4EW50X
EC Number: 626-120-9
Nikkaji: J2.651.277H

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 23.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 65.1

물리화학적 성질

끓는 점: 50 · 50-52 °C1 mm Hg(lit.)
밀도: 0.921 g/mL · 0.921 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4640(lit.)
인화점: 159 °F · 159 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 14.95 · 14.95±0.20(Predicted)
색상: 무색~황색~갈색
BRN: 4349393 · 4349393
InChIKey: FLVFPAIGVBQGET-RXMQYKEDSA-N

화학적 성질

Brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
ridadr: NA 1993 / PGIII
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

화학 및 산업

응용 분야

용도(R)-1-Methyl-3-pyrrolidinol is a useful synthetic intermediate. It is used for asymmetric synthesis of constrained (-)-S-adenosyl-L-homocysteine (SAH) analogs as DNA methyltransferase inhibitors.