1-메틸-3-피롤리디놀

1-Methyl-3-pyrrolidinol

HCID 93074CAS 13220-33-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCC(O)C1
InChIKey: FLVFPAIGVBQGET-UHFFFAOYSA-N
분자식: C5H11NO
평균 분자량: 101.15 g/mol
단동위원소 질량: 101.08406397

이름 및 식별자

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

이름 및 동의어

1-Methyl-3-pyrrolidinol13220-33-21-Methylpyrrolidin-3-ol3-Hydroxy-1-methylpyrrolidineN-Methyl-3-pyrrolidinol3-Pyrrolidinol, 1-methyl-3-hydroxy-n-methylpyrrolidineUNII-CGW2AL7PQ7CGW2AL7PQ7N-METHYL-3-HYDROXYPYRROLIDINEEINECS 236-189-3NSC 89279

이름 더 보기

1-메틸-3-피롤리디놀1-METHYL-PYRROLIDIN-3-OL3-Hydroxy-1-methyLN-Methyl-3-hydroxy-1-Methyl-3-pyrrolidiN-methyl-3-pyrrolitolN-Methyl-pyrrolidin-3-ol

NSC-892791-METHYL-3-HYDROXYPYRROLIDINEDTXSID108643771Methylpyrrolidin3olRefChem:762883Hydroxy1methylpyrrolidineDTXCID40812902FLVFPAIGVBQGET-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 13220-33-2
PubChem CID: 93074
DTXSID: DTXSID10864377
ChEMBL: CHEMBL4752499
UNII: CGW2AL7PQ7
EC Number: 236-189-3
Nikkaji: J149.939D

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

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other

Physical DescriptionColorless or pale yellow liquid; [Alfa Aesar MSDS]

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 1.464(lit.)
인화점: 159 °F · 159 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 14.95 · 14.95±0.20(Predicted)
색상: 무색
InChI: InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3
InChIKey: FLVFPAIGVBQGET-UHFFFAOYSA-N
SMILES: N1(C)CCC(O)C1
NIST: 1 · 1-Methyl-3-pyrrolidinol(13220-33-2)

화학적 성질

Clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.9% (1 of 53) of reports.

Warning

H315 (96.2%): 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 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 18-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24786

3-Pyrrolidinol, 1-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (96.2%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도1-Methyl-3-pyrrolidinol (cas# 13220-33-2) is a compound useful in organic synthesis.

상·하류 제품 정보

상류 원료

공급사50 곳

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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