4-Piperidinol, 1-methyl- (HCID 66048)

이름 및 식별자

우선 이름: 4-Piperidinol, 1-methyl-
IUPAC: 1-methylpiperidin-4-ol
현지명: N-메틸-4-피페리디놀
영어명: N-Methyl-4-piperidinol
분자식: C6H13NO
분자량: 115.17

이름 및 동의어

1-Methylpiperidin-4-olN-Methyl-4-piperidinol4-Hydroxy-1-methylpiperidine1-Methyl-4-piperidinol4-Hydroxy-N-methylpiperidine4-Piperidinol, 1-methyl-BAUWRHPMUVYFOD-UHFFFAOYSA-EINECS 203-406-81-Methylpiperidinol-(4)AI3-27594DTXSID9059339RefChem:100402

이름 더 보기

N-메틸-4-피페리디놀N-METHYL-4-HYDROXY PIPERIDINEH431NM4PPOL-4-piperidinoL

DTXCID0032994203-406-8BAUWRHPMUVYFOD-UHFFFAOYSA-NInChI=1/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3106-52-5N-Methyl-4-hydroxypiperidine1-Methyl-4-hydroxypiperidineN-Methylpiperidol

데이터베이스 식별자

CAS: 106-52-5
PubChem CID: 66048
DTXSID: DTXSID9059339
ChEMBL: CHEMBL22332
UNII: W95ZLR4RP5
EC Number: 203-406-8
Nikkaji: J1.828.792G、J14K

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: 66.9

물리화학적 성질

녹는점: 29 · 29-31 °C(lit.)
끓는 점: 200 °C · 200 °C(lit.)
밀도: 0.98 g/mL · 0.98 g/mL at 20 °C(lit.)
증기압: 8.13 · 8.13-11Pa at 25℃
굴절률: 20 · n20/D 1.479
인화점: 190 °F · 190 °F
저장 조건: 2 · 2-8°C
물리적 상태: 녹은 후에 액체
산도 계수 (pKa): 14.87 · 14.87±0.20(Predicted)
색상: 무색투명~갈색
수용성: 혼용 가능
BRN: 103024 · 103024
Henry's Law Constant: 1.3 · 1.3×103 mol/(m3Pa) at 25℃, Du et al. (2017)
InChI: 1S/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
InChIKey: BAUWRHPMUVYFOD-UHFFFAOYSA-N
SMILES: CN1CCC(O)CC1
LogP: -0.14 · -0.14-0.756 at 25℃
NIST: 4 · 4-Hydroxy-N-methylpiperidine(106-52-5)
EPA: 4 · 4-Piperidinol, 1-methyl- (106-52-5)

화학적 성질

clear colorless to yellowish liquid after melting

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 49.1% (52 of 106) of reports.

Danger

H315 (45.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 106 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 30-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19249

1-Methyl-4-piperidinol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (45.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29333999
risk_code: 37/38-41-36/37/38-34
hazard_code: Xi,C
safety_code: 26-37/39-45-36/37/39-27
위험 참고 사항: Irritant
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information4-Piperidinol, 1-methyl-: ACTIVE

응용 분야 · 1건

용도Reactant for:• ;Optimization of Novobiocin scaffold to product antitumor agents1• ;Substitution about the rigidifying ring for histamine H4 receptor antagonist synthesis2Reactant for synthesis of:• ;CaMKII inhibitors3• ;VEGFR and FGFR kinase inhibitors4• ;Phosphoinositide-3-kinase inhibitors5• ;Protein lysine methyltransferase G9a inhibitors6

상·하류 제품 정보

상류 원료

하류 제품

4-(1-Methylpiperidin-4-yloxy)-3,5-dichlorobenzenamine 2-chloro-6-(1-methylpiperidin-4-yloxy)pyridin-4-amine 1-methylpiperidin-4-yl 4-iodobenzoate 4-Iodo-1-Methyl-piperidine 6-[(1-methylpiperidin-4-yl)oxy]pyridin-3-amine

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

연결된 노트

불러오는 중…

N-메틸-4-피페리디놀

기본 정보