페닐-피페리딘-4-일-메탄올

Phenyl-piperidin-4-yl-methanol

HCID 339086CAS 38081-60-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OC(c1ccccc1)C1CCNCC1
InChIKey: DUZLYYVHAOTWSF-UHFFFAOYSA-N
분자식: C12H17NO
평균 분자량: 191.27 g/mol
단동위원소 질량: 191.13101416

이름 및 식별자

우선 이름: Phenyl-piperidin-4-yl-methanol
IUPAC: phenyl(piperidin-4-yl)methanol
현지명: 페닐-피페리딘-4-일-메탄올
영어명: Phenyl-piperidin-4-yl-methanol
분자식: C12H17NO
분자량: 191.27

이름 및 동의어

Phenyl-piperidin-4-yl-methanolRefChem:861686820-433-6phenyl(piperidin-4-yl)methanol38081-60-6Phenylpiperidin-4-ylmethanolMFCD05864581a-Phenyl-4-piperidinemethanolphenyl(4-piperidinyl)methanolphenyl(4-piperidyl)methanol4-Piperidinemethanol, |A-phenyl-phenyl-4-piperidylmethan-1-ol

이름 더 보기

페닐-피페리딘-4-일-메탄올α-Phenyl-4-piperidinemethanola-Phenyl-4-piperidinemethanol]4-Piperidinemethanol, α-phenyl-a-Phenyl-4-piperidinemethanol HClphenyl(piperidin-4-yl)methanol(SALTDATA: FREE)

orb3026156SCHEMBL1405681SCHEMBL4676513phenyl-piperidine-4-yl-methanolCHEMBL4552066phenyl (piperidin-4-yl)methanolSCHEMBL280004634-(hydroxyphenylmethyl)piperidine

데이터베이스 식별자

CAS: 38081-60-6
PubChem CID: 339086
DTXSID: DTXSID70320762
ChEMBL: CHEMBL4552066
EC Number: 820-433-6
Nikkaji: J3.289.953F

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 166 · 166-167 °C
끓는 점: 332 · 332.0±22.0 °C(Predicted)
밀도: 1.068 · 1.068±0.06 g/cm3(Predicted)
저장 조건: Store at Room Tem.
산도 계수 (pKa): 14.13 · 14.13±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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