AG00II2Y

943443-05-8 | (S)-4-Benzyl-1,4-oxazepan-6-ol

AG00II2Y

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CAS Number	943443-05-8
Catalog Number	AG00II2Y(AGN-PC-0WAHYJ)
Chemical Name	(S)-4-Benzyl-1,4-oxazepan-6-ol
IUPAC Name	(6S)-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-/m0/s1
InChI Key	SQZLCDHCXXQFNQ-LBPRGKRZSA-N
MDL Number	MFCD11976151
Molecular Formula	C12H17NO2
Molecular Weight	207.2689
SMILES	O[C@H]1CN(CC2=CC=CC=C2)CCOC1
Synonyms	(S)-4-BENZYL-1,4-OXAZEPAN-6-OL, 943443-05-8, 9185AH, MFCD11976151, ZINC98181530, (6S)-4-benzyl-1,4-oxazepan-6-ol, AKOS024464690, (S)-4-Benzyl-[1,4]oxazepan-6-ol, FCH3543933, AK160528, SC-36445, AJ-142636, AX8293643, ST24036180, C12H17NO2,

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
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338-P302+P352
UN Code

Certificate of Analysis

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