1-benzhydrylazetidin-3-ol Hydrochloride

HCID 2801726CAS 90604-02-7

기본 정보

표준 SMILES: Cl.OC1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey: LCHTWRWPHBRTNO-UHFFFAOYSA-N
분자식: C16H18ClNO
평균 분자량: 275.77 g/mol
단동위원소 질량: 275.10769188

이름 및 식별자

우선 이름: 1-benzhydrylazetidin-3-ol Hydrochloride
IUPAC: 1-benzhydrylazetidin-3-ol;hydrochloride
영어명: 1-(Diphenylmethyl)-3-Hydroxyazetidine Hydrochloride
분자식: C16H18ClNO
분자량: 275.78

이름 및 동의어

90604-02-71-benzhydrylazetidin-3-ol HydrochlorideDTXSID60384318RefChem:227780DTXCID803353421-(Diphenylmethyl)-3-hydroxyazetidine hydrochlorideMFCD002094471-benzhydryl-3-azetidinol hydrochloride1-(diphenylmethyl)azetidin-3-ol hydrochloride3-Azetidinol, 1-(diphenylmethyl)-, hydrochloride1-benzhydrylazetidin-3-ol;hydrochloride1-(diphenylmethyl)-3-azetidinol hydrochloride

이름 더 보기

1-(DiphenylMethyl)-3-hydroxyazetidine HClBaricitinib-008-HClBaricitinib Impurity 9 HCl1-BENZHYDRYLAZETAN-3-OL-HClBaricitinib Impurity 13 HClN-BENZHYDRYLAZETIDIN-3-OL HCL1-BENZHYDRYL AZETIDIN-3-OL HCL1-benzhydrylazetidin-1-ium-3-ol

N-Benzhydrylazetidin-3-ol hydrochloride1-Benzhydryl-azetidin-3-ol hydrochloride1-benzhydrylazetidin-3-ol hcl1-diphenylmethyl-3-hydroxy-azetidine hydrochlorideYT8KD6X4HKAzelnidipine Impurity 2 HClSCHEMBL7415831-Benzhydryl-3-azetidinol HCl

데이터베이스 식별자

CAS: 90604-02-7
PubChem CID: 2801726
DTXSID: DTXSID60384318
UNII: YT8KD6X4HK
EC Number: 675-289-5

물성

구조 계산 물성

극성 표면적: 23.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 19
형식 전하: 0
복잡도: 232

물리화학적 성질

녹는점: 172 · 172-174°C
저장 조건: Inert atmosphere,Room Temperature
용해도: Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly, Heated), Methanol (Slightly)
물리적 상태: 고체
색상: 흰색에서 연한 노란색

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2934999090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도1-(Diphenylmethyl)-3-Hydroxyazetidine Hydrochloride is a vital compound and can be used to synthesise 1-Benzhydrylazetidin-3-one and 1-benzhydrylazetidin-3-ol.