1-Benzylpiperidin-4-ol (HCID 78461)

이름 및 식별자

우선 이름: 1-Benzylpiperidin-4-ol
IUPAC: 1-benzylpiperidin-4-ol
영어명: 1-Benzyl-4-hydroxypiperidine
분자식: C12H17NO
분자량: 191.27

이름 및 동의어

1-Benzylpiperidin-4-olEINECS 225-226-9NSC 72991DTXSID80197083RefChem:430039DTXCID90119574225-226-91-Benzyl-4-hydroxypiperidine4727-72-41-Benzyl-4-piperidinolN-Benzyl-4-hydroxypiperidine1-Benzyl-piperidin-4-ol

이름 더 보기

N-BENZYL-4-PIPERIDINOLCompound Fr12729benzyl-4-piperidinolLABOTEST-BB LT00159455Revefenacin Impurity 334-Piperidinol, 1-benzyl-1-Benzyl-4-hydroxypiperide

4-Piperidinol, 1-(phenylmethyl)-4-hydroxy-n-benzylpiperidineMFCD000065031-(Phenylmethyl)-4-piperidinolN-benzylpiperidin-4-ol4-hydroxy-1-benzylpiperidine1-(phenylmethyl)piperidin-4-olCHEMBL4796237

데이터베이스 식별자

CAS: 4727-72-4
PubChem CID: 78461
DTXSID: DTXSID80197083
ChEMBL: CHEMBL4796237
EC Number: 225-226-9
Nikkaji: J31.374B

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 23.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 158

물리화학적 성질

녹는점: 61 · 61-63 °C(lit.)
끓는 점: 127 · 127-128 °C2 mm Hg(lit.)
밀도: 1.0096 · 1.0096 (rough estimate)
굴절률: 1.5212 · 1.5212 (estimate)
인화점: 121 · 121-123°C/0.7mm
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 14.87 · 14.87±0.20(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 노란색으로
BRN: 146118 · 146118
InChI: InChI=1S/C12H17NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKey: BPPZXJZYCOETDA-UHFFFAOYSA-N
SMILES: N1(CC2=CC=CC=C2)CCC(O)CC1
NIST: 4 · 4-Piperidinol, 1-(phenylmethyl)-(4727-72-4)

화학적 성질

WHITE TO YELLOWISH CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (81.2%): 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (81.2%)

안전 데이터

wgk: 2
ridadr: UN 2811 6.1/PG 3
HS 번호: 29333990
risk_code: 25-36/37/38-20/21/22
hazard_code: T,C,Xi,Xn
safety_code: 26-45-37/39-36
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 1건

용도1-Benzyl-4-hydroxypiperidine is the reactant for synthesis of: Muscarinic acetylcholine receptor antagonist and beta 2 adrenoceptor agonist1 Fatty acid amide hydrolase inhibitors PI3 kinase-alpha inhibitors Flavonoid derivatives used as dual binding acetylcholinesterase inhibitors Urotensin-II receptor antagonists Rho kinase inhibitors.