AG00ANJC

154195-30-9 | 1H-Azepine-2,5-dione, tetrahydro-1-(phenylMethyl)-

AG00ANJC

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CAS Number	154195-30-9
Catalog Number	AG00ANJC(AGN-PC-080G8S)
Chemical Name	1H-Azepine-2,5-dione, tetrahydro-1-(phenylMethyl)-
IUPAC Name	1-benzylazepane-2,5-dione
InChI	InChI=1S/C13H15NO2/c15-12-6-7-13(16)14(9-8-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChI Key	CTOCTUGUWVAJRP-UHFFFAOYSA-N
MDL Number	MFCD17677085
Molecular Formula	C13H15NO2
Molecular Weight	217.2637
SMILES	O=C1CCN(CC2=CC=CC=C2)C(=O)CC1
Synonyms	1-Benzylazepane-2,5-dione, 154195-30-9, 1-benzyl-2,5-azepanedione, AK-84766, 1H-Azepine-2,5-dione, tetrahydro-1-(phenylmethyl)-, CTK8C2048, DTXSID90677583, KS-00000QL0, ZX-CM010204, 7738AA, ANW-67679, MFCD17677085, ZINC66352117, AKOS015917452, FCH2793033, AC-29589, DS-17551, AJ-116664, AX8237931, TC-156424, FT-0739852, Y-7806, Tetrahydro-1-(phenylmethyl)-1H-azepine-2,5-dione, I14-9716, F2147-2743, 1-Benzyl-azepane-2,5-dione, C13H15NO2, ACN-030045,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.11g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.268g/mol
Monoisotopic Mass	217.11g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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