(1-벤질-4-피페리딜)메탄올

(1-Benzylpiperidin-4-yl)methanol

HCID 736802CAS 67686-01-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCC1CCN(Cc2ccccc2)CC1
InChIKey: FLQPYEOKVZYXRL-UHFFFAOYSA-N
분자식: C13H19NO
평균 분자량: 205.3 g/mol
단동위원소 질량: 205.14666423

이름 및 식별자

우선 이름: (1-Benzylpiperidin-4-yl)methanol
IUPAC: (1-benzylpiperidin-4-yl)methanol
현지명: (1-벤질-4-피페리딜)메탄올
영어명: (1-Benzyl-4-piperidyl)methanol
분자식: C13H19NO
분자량: 205.3

이름 및 동의어

(1-benzylpiperidin-4-yl)methanol1-(phenylmethyl)-4-piperidinemethanolRefChem:392067614-102-367686-01-5(1-Benzyl-4-piperidyl)methanol1-Benzyl-4-piperidinemethanol(1-benzyl-4-piperidinyl)methanolMFCD008310144-Piperidinemethanol, 1-(phenylmethyl)-441011-20-71-Benzyl-4-(hydroxymethyl)piperidine

이름 더 보기

(1-벤질-4-피페리딜)메탄올6X-0704EC-000.1863MFCD13250103Oprea1_527183AE-641/14044007BUTTPARK 27\04-75RSSYY(Iberdomide)-1SDCCGMLS-0066148.P0011-Benzyl-4-hydroxymethyl

1-benzyl 4-piperidinemethanol1-benzylpiperidin-4-yl-methanolCHEMBL45293411-benzyl-4-hydroxymethyl piperidinen-benzyl-4-hydroxymethyl-piperidineAKOS0050675924-piperidinemethanol, 1-(phenylmethyl)-, hydrochloride1-Benzy-4-hydroxymethylpiperidine

데이터베이스 식별자

CAS: 67686-01-5
PubChem CID: 736802
DTXSID: DTXSID60353105
ChEMBL: CHEMBL4529341
UNII: DF3NB7LV3J
EC Number: 614-102-3
Nikkaji: J1.488.498J

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 23.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 169

물리화학적 성질

끓는 점: 135 · 135-138°C (0.2 mmHg)
밀도: 1.056 · 1.056±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 14.94 · 14.94±0.10(Predicted)
InChI: InChI=1S/C13H19NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
InChIKey: FLQPYEOKVZYXRL-UHFFFAOYSA-N
SMILES: N1(CC2=CC=CC=C2)CCC(CO)CC1

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)

안전 데이터

wgk: WGK 3
HS 번호: 2933399990
risk_code: 25
hazard_code: Xi,T
safety_code: 24/25-45
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects