AG000741

1022915-31-6 | 1,4-Oxazepin-6-ol, hexahydro-4-(phenylmethyl)-, (6R)-

AG000741

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CAS Number	1022915-31-6
Catalog Number	AG000741(AGN-PC-0WGCAK)
Chemical Name	1,4-Oxazepin-6-ol, hexahydro-4-(phenylmethyl)-, (6R)-
IUPAC Name	(6R)-4-benzyl-1,4-oxazepan-6-ol
InChI	InChI=1S/C12H17NO2/c14-12-9-13(6-7-15-10-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1
InChI Key	SQZLCDHCXXQFNQ-GFCCVEGCSA-N
MDL Number	MFCD11976150
Molecular Formula	C12H17NO2
Molecular Weight	207.2689
SMILES	O[C@@H]1CN(CC2=CC=CC=C2)CCOC1
Synonyms	1022915-31-6, (R)-4-Benzyl-[1,4]oxazepan-6-ol, (R)-4-BENZYL-1,4-OXAZEPAN-6-OL, (6R)-Hexahydro-4-(phenylmethyl)-1,4-oxazepin-6-ol, ZINC98181529, AKOS027325071, SC-36191, AJ-142635, 1,4-Oxazepin-6-ol, hexahydro-4-(phenylmethyl)-, (6R)-,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	207.126g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.273g/mol
Monoisotopic Mass	207.126g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	32.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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