1-benzhydrylazetidin-3-ol Hydrochloride

HCID 2801726CAS 90604-02-7

Substructure search Find similar structures

Basic information

Standard SMILES: Cl.OC1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey: LCHTWRWPHBRTNO-UHFFFAOYSA-N
Molecular formula: C16H18ClNO
Average molar mass: 275.77 g/mol
Monoisotopic mass: 275.10769188

Names & identifiers

Preferred name: 1-benzhydrylazetidin-3-ol Hydrochloride
IUPAC: 1-benzhydrylazetidin-3-ol;hydrochloride
English name: 1-(Diphenylmethyl)-3-Hydroxyazetidine Hydrochloride
Molecular formula: C16H18ClNO
Molecular weight: 275.78

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 232

Physicochemical properties

Melting point: 172 · 172-174°C
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly, Heated), Methanol (Slightly)
form: Solid
color: White to Pale Yellow
CAS DataBase Reference: 90604 · 90604-02-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 g-P305+P351+P338 · P280g-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37
Hazard Note: Irritant
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2934999090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37
Hazard statements: H315-H319-H335
Precautionary statements: P280g-P305+P351+P338

Chemistry & industry

Applications

Uses1-(Diphenylmethyl)-3-Hydroxyazetidine Hydrochloride is a vital compound and can be used to synthesise 1-Benzhydrylazetidin-3-one and 1-benzhydrylazetidin-3-ol.