CAS 490021-97-1 3-(4-Chlorophenoxy)azetidine hydrochloride (HCID 57350197)

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Basic information

CAS: 490021-97-1
Standard SMILES: Cl.Clc1ccc(OC2CNC2)cc1
InChIKey: QSNYTCGPOAJEFH-UHFFFAOYSA-N
Molecular formula: C9H11Cl2NO
Average molar mass: 220.09 g/mol
Monoisotopic mass: 219.02176933

Names & identifiers

Preferred name: 3-(4-Chlorophenoxy)azetidine hydrochloride
IUPAC: 3-(4-chlorophenoxy)azetidine;hydrochloride
English name: 3-(4-Chlorophenoxy)azetidine hydrochloride
Molecular formula: C9H10ClNO.ClH
Molecular weight: 220.098

Names & synonyms

3-(4-chlorophenoxy)azetidine hydrochloride490021-97-13-(4-chlorophenoxy)azetidine;hydrochlorideMFCD002777973-(4-Chlorophenoxy)azetidine HCl3-(4-chloro-phenoxy)-azetidineSCHEMBL5222288DTXSID10722089QSNYTCGPOAJEFH-UHFFFAOYSA-NQUA02197AKOS0267473563-(4-chlorophenoxy)azetidinehydrochloride

Show more names

hydrochloride - [C86819]Azetidine, 3-(4-chlorophenoxy)-, hydrochloride

AS-78549SY321949DB-093972CS-01491723-(4-chloro-phenoxy)-azetidine hydrochlorideA50759EN300-240221F694832

Database identifiers

CAS: 490021-97-1
PubChem CID: 57350197
DTXSID: DTXSID10722089

Properties

Computed structural properties

Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 141

Physicochemical properties

form: solid
InChI: 1S/C9H10ClNO/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9,11H,5-6H2
InChIKey: LQKDDYJEXTWRLZ-UHFFFAOYSA-N
SMILES: ClC1=CC=C(OC2CNC2)C=C1
UNSPSC Code: 12352101 · 12352101
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
WGK Germany: 3 · WGK 3
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2