AG000Z6M

129482-45-7 | 1,4-Oxazepine, 2-(chloromethyl)hexahydro-4-(phenylmethyl)-

AG000Z6M

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CAS Number	129482-45-7
Catalog Number	AG000Z6M(AGN-PC-098J9N)
Chemical Name	1,4-Oxazepine, 2-(chloromethyl)hexahydro-4-(phenylmethyl)-
IUPAC Name	4-benzyl-2-(chloromethyl)-1,4-oxazepane
InChI	InChI=1S/C13H18ClNO/c14-9-13-11-15(7-4-8-16-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChI Key	WMNCXGQXIYXQLC-UHFFFAOYSA-N
MDL Number	MFCD11975786
Molecular Formula	C13H18ClNO
Molecular Weight	239.7411
SMILES	ClCC1OCCCN(CC2=CC=CC=C2)C1
Synonyms	129482-45-7, 4-benzyl-2-(chloromethyl)-1,4-oxazepane, 4-Benzyl-2-(chloromethyl)homomorpholine, 1,4-Oxazepine, 2-(chloromethyl)hexahydro-4-(phenylmethyl)-, SCHEMBL3443710, WMNCXGQXIYXQLC-UHFFFAOYSA-N, KS-00000E7C, 6093AJ, MFCD11975786, AKOS015950525, 4-Benzyl-2-chloromethyl-1,4-oxazepane, 4-Benzyl-2-chloromethyl- 1,4-oxazepane, AS-32526, SC-33028, SY007206, AB1000909, FT-0721043, Y-6932, MFCD11975786 (95+%), (+/-)-4-benzyl-2-(chloro-methyl)perhydro-1,4-oxazepin, null, C13H18ClNO, CID10399365, 4-Benzyl-2-(chloromethyl)homomorpholine; 4-Benzyl-2-(chloromethyl)-1,4-oxazepane, 22280-95-1,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.108g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.743g/mol
Monoisotopic Mass	239.108g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	12.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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