AG003Q0G

19673-12-2 | Ethyl 1-benzyl-5-oxoazepane-4-carboxylate

AG003Q0G

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CAS Number	19673-12-2
Catalog Number	AG003Q0G(AGN-PC-0NJ4QA)
Chemical Name	Ethyl 1-benzyl-5-oxoazepane-4-carboxylate
IUPAC Name	ethyl 1-benzyl-5-oxoazepane-4-carboxylate
InChI	InChI=1S/C16H21NO3/c1-2-20-16(19)14-8-10-17(11-9-15(14)18)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChI Key	YYCFGTMTPVIMLW-UHFFFAOYSA-N
MDL Number	MFCD11045474
Molecular Formula	C16H21NO3
Molecular Weight	275.3428
SMILES	O=C(C1CCN(CC2=CC=CC=C2)CCC1=O)OCC
Synonyms	Ethyl 1-benzyl-5-oxoazepane-4-carboxylate, 19673-12-2, SCHEMBL1622710, DTXSID00500010, YYCFGTMTPVIMLW-UHFFFAOYSA-N, KS-00000BO9, 0134AB, MFCD11045474, AKOS016000710, TRA0054970, ACM19673122, AS-32401, Ethyl1-Benzyl-5-oxoazepane-4-carboxylate, SY018711, AX8250334, TC-308146, Ethyl 1-benzyl-5-oxo-azepane-4-carboxylate, Z-4485, MFCD11045474 (95+%), ethyl 1-benzyl-5-oxoperhydroazepine-4-carboxylate, Hexahydro-5-oxo-1-(phenylmethyl)-1H-azepine-4-carboxylic acid ethyl ester, C16H21NO3, 32673-41-9,

Complexity	337
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.152g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	275.348g/mol
Monoisotopic Mass	275.152g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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