메틸(1-)-3-피페리딘메탄올

(1-Methyl-3-piperidyl)methanol

HCID 97998CAS 7583-53-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCCC(CO)C1
InChIKey: UGXQXVDTGJCQHR-UHFFFAOYSA-N
분자식: C7H15NO
평균 분자량: 129.2 g/mol
단동위원소 질량: 129.1153641

이름 및 식별자

우선 이름: (1-Methyl-3-piperidyl)methanol
IUPAC: (1-methylpiperidin-3-yl)methanol
현지명: 메틸(1-)-3-피페리딘메탄올
영어명: 1-Methyl-3-piperidinemethanol
분자식: C7H15NO
분자량: 129.2

이름 및 동의어

3-Piperidinemethanol, 1-methyl-(1-Methyl-3-piperidyl)methanolEINECS 231-488-5NSC 66541RefChem:392365231-488-51-Methyl-3-piperidinemethanol7583-53-1(1-methylpiperidin-3-yl)methanol1-Methylpiperidine-3-methanol230294-57-23-Hydroxymethyl-1-methylpiperidine

이름 더 보기

메틸(1-)-3-피페리딘메탄올1-메틸-3-피페리딘메탄올1-Methy-3-piperidinemethanolN-Methylpiperidine-3-methanolN-METHYLPIPERIDINE-3-CARBINOLN-Methyl-3-piperidinecarbinolN-METHYL-3-PIPERIDINE METHANOLN-methyl-3-piperidinyl alcohol

MFCD00006497Hydroxymethyl-N-methylpiperidine1-Methyl-3-hydroxymethylpiperidineHydroxymethyl-?N-?methylpiperidine3-(Hydroxymethyl)-1-methylpiperidine(1-methyl-piperidin-3-yl)-methanolNSC665411-Methylpiperdin-3-ylmethanol

데이터베이스 식별자

CAS: 7583-53-1
PubChem CID: 97998
DTXSID: DTXSID80871194
EC Number: 231-488-5
Nikkaji: J62.784D

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: 85

물리화학적 성질

끓는 점: 140 · 140-145 °C
밀도: 1.01 · 1.01
굴절률: 1.4772 · 1.4772-1.4792
인화점: 94 °C · 94 °C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 14.93 · 14.93±0.10(Predicted)
색상: 무색~황색~주황색
BRN: 103713 · 103713
NIST: 1 · 1-Methyl-3-piperidinemethanol(7583-53-1)

화학적 성질

clear colorless to yellow liquid

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information3-Piperidinemethanol, 1-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-45-36/37/38-23
포장분류: III
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도Hydroxymethyl-N-methylpiperidine is used in the preparation of pyrimidines as FGFR3 tyrosine kinase inhibitors as well as for potent pyrazine c-Src inhibitors in the treatment of ischemic stroke.