하이드록시-1-메틸디페리딘

3-Piperidinol, 1-methyl-

HCID 98016CAS 3554-74-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCCC(O)C1
InChIKey: UKANCZCEGQDKGF-UHFFFAOYSA-N
분자식: C6H13NO
평균 분자량: 115.17 g/mol
단동위원소 질량: 115.09971404

이름 및 식별자

우선 이름: 3-Piperidinol, 1-methyl-
IUPAC: 1-methylpiperidin-3-ol
현지명: 하이드록시-1-메틸디페리딘
영어명: 3-Hydroxy-1-methylpiperidine
분자식: C6H13NO
분자량: 115.17

이름 및 동의어

3-Hydroxy-1-methylpiperidine1-Methylpiperidin-3-ol3554-74-31-Methyl-3-piperidinolN-Methyl-3-piperidinol3-Piperidinol, 1-methyl-3-Hydroxy-N-methylpiperidine1-Methyl-3-hydroxypiperidineN-Methyl-3-hydroxypiperidineEINECS 222-609-2NSC 68348UKANCZCEGQDKGF-UHFFFAOYSA-

이름 더 보기

하이드록시-1-메틸디페리딘3-하이드록시-1-메틸피페리딘NM3PPOL1-methyl-3-ol1-methyl-3-piperidinoN-Methyl-3-piperidinol 98%3-Hydroxy-l-methylpiperidine

DTXSID90883920RefChem:505033DTXCID50835248222-609-2InChI=1/C6H13NO/c1-7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3MFCD00006495CHEMBL21531NSC68348

데이터베이스 식별자

CAS: 3554-74-3
PubChem CID: 98016
DTXSID: DTXSID90883920
ChEMBL: CHEMBL21531
EC Number: 222-609-2
Nikkaji: J185F

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 23.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 74.9

물리화학적 성질

끓는 점: 76 · 76-78 °C11 mm Hg(lit.)
밀도: 0.999 g/mL · 0.999 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.475
인화점: 158 °F · 158 °F
산도 계수 (pKa): 14.95 · 14.95±0.20(Predicted)
물리적 상태: 액체
색상: 클리어, 오렌지
수용성: 물과 완전히 혼화 가능합니다.
BRN: 103017 · 103017
InChI: InChI=1S/C6H13NO/c1-7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3
InChIKey: UKANCZCEGQDKGF-UHFFFAOYSA-N
SMILES: N1(C)CCCC(O)C1
NIST: 3 · 3-Piperidinol, 1-methyl-(3554-74-3)
EPA: 3 · 3-Piperidinol, 1-methyl- (3554-74-3)

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 44 reports by companies from 4 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
tsca: TSCA listed
HS 번호: 29333990
risk_code: 36/37/38-6/37/38
hazard_code: Xi
safety_code: 26-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information3-Piperidinol, 1-methyl-: ACTIVE

응용 분야 · 1건

용도Reactant for:• ;Optimization of Novobiocin scaffold to produce antitumor agents1• ;Formation of carbamates and N-alkylimidazoles2Reactant for synthesis of:• ;Pyridine derivatives as CDK5 inhibitors3• ;Phenylcarbamate derivatives as ligands for nicotinic acetylcholine receptors4• ;Amino phosphite ligands5• ;Mexiletine enantiomers by nucleophilic aromatic substitution6