AG003CLG

103478-12-2 | Benzyl (s)-(2-oxoazepan-3-yl)carbamate

AG003CLG

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CAS Number	103478-12-2
Catalog Number	AG003CLG(AGN-PC-0OSF2Z)
Chemical Name	Benzyl (s)-(2-oxoazepan-3-yl)carbamate
IUPAC Name	benzyl N-[(3S)-2-oxoazepan-3-yl]carbamate
InChI	InChI=1S/C14H18N2O3/c17-13-12(8-4-5-9-15-13)16-14(18)19-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,17)(H,16,18)/t12-/m0/s1
InChI Key	ZFWYCTUOFGJWRJ-LBPRGKRZSA-N
MDL Number	MFCD08060107
Molecular Formula	C14H18N2O3
Molecular Weight	262.3043
SMILES	O=C(OCC1=CC=CC=C1)N[C@@H]2C(NCCCC2)=O
Synonyms	103478-12-2, (S)-3-(Cbz-amino)-2-oxoazepane, BENZYL (S)-(2-OXOAZEPAN-3-YL)CARBAMATE, (S)-Benzyl (2-oxoazepan-3-yl)carbamate, SCHEMBL4081547, CTK4A2134, Carbamic acid,N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-, phenylmethyl ester, CS-D0190, KS-00000C8G, 7786AC, MFCD08060107, ZINC34168071, AKOS022184065, FCH3609393, AJ-87275, AK-85676, CJ-18222, CS-11407, AX8116001, RT-011451, K-0373, L-|A-[(Benzyloxycarbonyl)amino]-|A-caprolactam, (3S)-3-(Benzyloxycarbonylamino)-4,5,6,7-tetrahydro-1H-azepine-2(3H)-one, C14H18N2O3, BENZYL(S)-(2-OXOAZEPAN-3-YL)CARBAMATE, 108875-45-2,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	262.132g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	262.309g/mol
Monoisotopic Mass	262.132g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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