AG000MEN

1245782-61-9 | 3-Oxetanamine, 3-(4-chlorophenyl)-, hydrochloride (1:1)

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CAS Number	1245782-61-9
Catalog Number	AG000MEN(AGN-PC-0WCXMP)
Chemical Name	3-Oxetanamine, 3-(4-chlorophenyl)-, hydrochloride (1:1)
IUPAC Name	3-(4-chlorophenyl)oxetan-3-amine;hydrochloride
InChI	InChI=1S/C9H10ClNO.ClH/c10-8-3-1-7(2-4-8)9(11)5-12-6-9;/h1-4H,5-6,11H2;1H
InChI Key	DNVPDMXUPGYAPY-UHFFFAOYSA-N
MDL Number	MFCD17015007
Molecular Formula	C9H11Cl2NO
Molecular Weight	220.0957
SMILES	NC1(C2=CC=C(Cl)C=C2)COC1.[H]Cl
Synonyms	3-(4-Chlorophenyl)oxetan-3-amine hydrochloride, 1245782-61-9, 3-(4-Chlorophenyl)oxetan-3-amine HCl, 3-(4-Chlorophenyl)-3-oxetanamine hydrochloride, 1245896-06-3, 3-(4-Chlorophenyl)Oxetane-3-Amine Hydrochloride, SCHEMBL14697450, CTK4B4000, DTXSID00676683, KS-000007TS, ZX-AT013414, MFCD17015007, AKOS015847821, OR61146, AK173693, AS-37526, TC-068553, CS-0051743, 3-Amino-3-(4-chlorophenyl)oxetane hydrochloride, 4-(3-Aminooxetan-3-yl)chlorobenzene hydrochloride, 3-Oxetanamine, 3-(4-chlorophenyl)-, hydrochloride (1:1), 3-(4-Chlorophenyl)oxetan-3-amine--hydrogen chloride (1/1),

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.022g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	220.093g/mol
Monoisotopic Mass	219.022g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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