AG00277A

179686-45-4 | Carbamic acid, N-(hexahydro-2-oxo-1H-azepin-3-yl)-, 1,1-dimethylethyl ester

AG00277A

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CAS Number	179686-45-4
Catalog Number	AG00277A(AGN-PC-0QBMUQ)
Chemical Name	Carbamic acid, N-(hexahydro-2-oxo-1H-azepin-3-yl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-(2-oxoazepan-3-yl)carbamate
InChI	InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-8-6-4-5-7-12-9(8)14/h8H,4-7H2,1-3H3,(H,12,14)(H,13,15)
InChI Key	AQKNKAUJTJFUMG-UHFFFAOYSA-N
MDL Number	MFCD02183574
Molecular Formula	C11H20N2O3
Molecular Weight	228.2881
SMILES	O=C1CC(NC(OC(C)(C)C)=O)CCCN1
Synonyms	179686-45-4, (+/-)-N-alpha-Boc-amino-epsilon-caprolactam, 3-N-Boc-amino-2-azepanone, tert-Butyl 2-oxoazepan-3-ylcarbamate, n-2-boc-aminocaprolactam, tert-butyl N-(2-oxoazepan-3-yl)carbamate, tert-butyl (2-oxoazepan-3-yl)carbamate, (2-Oxo-azepan-3-yl)-carbamic acid tert-butyl ester, n-alpha-boc-amino-epsilon-caprolactam, (+/-)-n-a-boc-amino-epsilon-caprolactam, carbamic acid, n-(hexahydro-2-oxo-1h-azepin-3-yl)-, 1,1-dimethylethyl ester, tert-butyl N-[(3R)-2-oxoazepan-3-yl]carbamate, AC1MBUB7, AC1Q1NCA, KSC950C7P, SCHEMBL2329779, CTK8F0177, DTXSID90373518, MFCD02183574, AKOS012110318, CB-1373, MCULE-8323929726, RP27758, TRA0170058, VZ27130, (+/-)-n--boc-amino-epsilon-caprolactam, AC-30506, AM803389, AS-38490, DA-09081, SC-85419, (rs)-n-boc-alpha-amino-epsilon-caprolactame, RT-013985, ST2417818, 4CH-013860, A3984, FT-0687402, EN300-65621, X-3460, (2-Oxo-azepan-3-yl)carbamic acid tert-butyl ester, J-502537, J-524458, S14-2449, Z1157677915, (+/-)-(2-oxo-azepan-3-yl)-carbamic acid tert-butyl ester, Carbamic acid,N-(hexahydro-2-oxo-1H-azepin-3-yl)-, 1,1-dimethylethyl ester, 3-N-Boc-Amino-epsilon-caprolactam, L-(-)-3-N-Boc-amino-2-azepanone, ZINC02578112, CID2756762, (S)-tert-Butyl (2-oxoazepan-3-yl)carbamate, (S)-tert-Butyl 2-oxoazepan-3-ylcarbamate, (R)-tert-Butyl (2-oxoazepan-3-yl)carbamate, tert-butyl N-[(3S)-2-oxoazepan-3-yl]carbamate, 76944-95-1, 106691-72-9,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.147g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	228.292g/mol
Monoisotopic Mass	228.147g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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