4-하이드록시메틸-4-메틸피페리딘

(4-Methylpiperidin-4-yl)methanol

HCID 22507737

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 297172-16-8
표준 SMILES: CC1(CO)CCNCC1
InChIKey: XZYORTYWJFJBDE-UHFFFAOYSA-N
분자식: C7H15NO
평균 분자량: 129.2 g/mol
단동위원소 질량: 129.1153641

이름 및 식별자

우선 이름: (4-Methylpiperidin-4-yl)methanol
IUPAC: (4-methylpiperidin-4-yl)methanol
현지명: 4-하이드록시메틸-4-메틸피페리딘
영어명: 4-Hydroxymethyl-4-methylpiperidine
분자식: C7H15NO
분자량: 129.2

이름 및 동의어

(4-methylpiperidin-4-yl)methanol297172-16-8DTXSID20626367RefChem:208960DTXCID40577120872-884-34-Piperidinemethanol, 4-methyl-4-Hydroxymethyl-4-methylpiperidine4-(Hydroxymethyl)-4-methylpiperidineMFCD09991910(4-methyl-4-piperidyl)methanol(4-Methyl-piperidin-4-yl)-methanol

이름 더 보기

4-하이드록시메틸-4-메틸피페리딘4-HydroxyMethyl-4-Methylp...4-methyl-4-Piperidinemethanol(4-Methylpiperidin-4-yl)methanol hcl(4-Methylpiperidin-4-yl)Methanol hydrochloride(4-methyl-4-piperidinyl)methanol(SALTDATA: HCl)

SCHEMBL321797SCHEMBL321822SCHEMBL25250895XZYORTYWJFJBDE-UHFFFAOYSA-N4-hydroxymethyl-4-methyl-piperidineALBB-038034AKOS006311336CS-W003715

데이터베이스 식별자

CAS: 297172-16-8
PubChem CID: 22507737
DTXSID: DTXSID20626367
EC Number: 872-884-3

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 86.9

물리화학적 성질

끓는 점: 200.8 · 200.8±13.0℃ (760 Torr)
밀도: 0.926 · 0.926±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 76.7 · 76.7±10.5℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 14.94 · 14.94±0.10(Predicted)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.