메틸(1-)-2-피페리딘메탄올

1-Methyl-2-piperidinemethanol

HCID 89394CAS 20845-34-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCCCC1CO
InChIKey: HXXJMMLIEYAFOZ-UHFFFAOYSA-N
분자식: C7H15NO
평균 분자량: 129.2 g/mol
단동위원소 질량: 129.1153641

이름 및 식별자

우선 이름: 1-Methyl-2-piperidinemethanol
IUPAC: (1-methylpiperidin-2-yl)methanol
현지명: 메틸(1-)-2-피페리딘메탄올
영어명: 1-Methyl-2-piperidinemethanol
분자식: C7H15NO
분자량: 129.2

이름 및 동의어

1-Methyl-2-piperidinemethanol20845-34-52-Piperidinemethanol, 1-methyl-NSC 45464DTXSID301307492EINECS 244-078-6RefChem:434080DTXCID908721572-(Hydroxymethyl)-N-methylpiperidine244-078-6(1-methylpiperidin-2-yl)methanol1-Methylpiperidine-2-methanol

이름 더 보기

메틸(1-)-2-피페리딘메탄올1-메틸-2-피페리딘메탄올2-(Hydroxymethyl)Methyl-2-piperidineMethaN-Methylpiperidine-2-carbinolN-Methyl-2-piperidineMethanolN-Methylpiperidine-2-methanolN-Methyl-2-piperidinecarbinol

MFCD000064942-Hydroxymethyl-1-methylpiperidine(1-methyl-2-piperidyl)methanol1-Methyl-2-hydroxymethylpiperidine(1-methyl-2-piperidyl)methan-1-ol2-hydroxymethyl-N-methylpiperidineNSC454641-methyl-2piperidinemethanol

데이터베이스 식별자

CAS: 20845-34-5
PubChem CID: 89394
DTXSID: DTXSID301307492
EC Number: 244-078-6
Nikkaji: J149.933E

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 23.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 85

물리화학적 성질

끓는 점: 79 · 79-80 °C/7 mmHg (lit.)
밀도: 0.984 g/mL · 0.984 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4823(lit.)
인화점: 178 °F · 178 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 디클로로메탄 또는 메탄올에 용해됨
물리적 상태: 액체
산도 계수 (pKa): 15.08 · 15.08±0.10(Predicted)
색상: 클리어 브라운
BRN: 103612 · 103612
InChI: InChI=1S/C7H15NO/c1-8-5-3-2-4-7(8)6-9/h7,9H,2-6H2,1H3
InChIKey: HXXJMMLIEYAFOZ-UHFFFAOYSA-N
SMILES: N1(C)CCCCC1CO
NIST: 1 · 1-Methyl-2-piperidinemethanol(20845-34-5)

화학적 성질

CLEAR BROWN LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (16.7%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.