1-메틸-4-피페리딘메탄올

1-Methyl-4-piperidinemethanol

HCID 271971CAS 20691-89-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCC(CO)CC1
InChIKey: KJZLJGZZDNGGCA-UHFFFAOYSA-N
분자식: C7H15NO
평균 분자량: 129.2 g/mol
단동위원소 질량: 129.1153641

이름 및 식별자

우선 이름: 1-Methyl-4-piperidinemethanol
IUPAC: (1-methylpiperidin-4-yl)methanol
현지명: 1-메틸-4-피페리딘메탄올
영어명: 1-Methyl-4-piperidinemethanol
분자식: C7H15NO
분자량: 129.2

이름 및 동의어

1-Methyl-4-piperidinemethanol20691-89-84-Piperidinemethanol, 1-methyl-N-Methyl-4-hydroxymethylpiperidineDTXSID40297432RefChem:76330DTXCID80248569681-545-7KJZLJGZZDNGGCA-UHFFFAOYSA-N(1-methylpiperidin-4-yl)methanolN-Methyl-4-piperidinemethanol(1-Methyl-piperidin-4-yl)-methanol

이름 더 보기

1-메틸-4-피페리딘메탄올BUTTPARK 145\16-21CHEMBRDG-BB 40021911-Methyl-4-piperidinemeth...1-Methyl-4-piperidinemethanoN-Methyl-piperidin-4-Methanol4-Methoxy-1-Methyl-piperidineN-Methyl-4-piperidinecarbinol

MFCD034119031-Methylpiperidine-4-methanol(1-Methyl-4-piperidinyl)methanol(1-methyl-4-piperidyl)methanol4-Hydroxymethyl-1-methylpiperidineF2167-0014(1-methyl-4-piperidyl)methan-1-olNSC116001

데이터베이스 식별자

CAS: 20691-89-8
PubChem CID: 271971
DTXSID: DTXSID40297432
EC Number: 681-545-7
Nikkaji: J109.512I

물성

구조 계산 물성

XLogP: 0.3
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: 77

물리화학적 성질

끓는 점: 108 °C/10mmHg · 108°C/10mmHg(lit.)
밀도: 0.981 g/mL · 0.981 g/mL at 25 °C
굴절률: 1.476 · 1.476
인화점: 110 ℃ · 110℃
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 14.94 · 14.94±0.10(Predicted)
물리적 상태: 액체
색상: 무색~황색
InChI: InChI=1S/C7H15NO/c1-8-4-2-7(6-9)3-5-8/h7,9H,2-6H2,1H3
InChIKey: KJZLJGZZDNGGCA-UHFFFAOYSA-N
SMILES: N1(C)CCC(CO)CC1

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 4.3% (2 of 47) of reports.

Warning

H315 (12.8%): 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.