AG003R6D

76944-95-1 | L-(-)-3-N-Boc-amino-2-azepanone

AG003R6D

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CAS Number	76944-95-1
Catalog Number	AG003R6D(AGN-PC-0UAROA)
Chemical Name	L-(-)-3-N-Boc-amino-2-azepanone
IUPAC Name	tert-butyl N-[(3S)-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)/t8-/m0/s1
InChI Key	AQKNKAUJTJFUMG-QMMMGPOBSA-N
MDL Number	MFCD00798169
Molecular Formula	C11H20N2O3
Molecular Weight	228.2881
SMILES	O=C(OC(C)(C)C)N[C@@H]1C(NCCCC1)=O
Synonyms	76944-95-1, (S)-tert-Butyl (2-oxoazepan-3-yl)carbamate, L-(-)-3-N-Boc-amino-2-azepanone, L(-)-N-alpha-Boc-amino-epsilon-caprolactam, (S)-tert-Butyl 2-oxoazepan-3-ylcarbamate, l-(-)-n-alpha-boc-amino-epsilon-caprolactam, tert-butyl N-[(3S)-2-oxoazepan-3-yl]carbamate, (s)-(2-oxo-azepan-3-yl)-carbamic acid tert-butyl ester, N-[(3S)-2-oxo-3-azepanyl]carbamic acid tert-butyl ester, AC1ODWZF, SCHEMBL2462379, CTK8F0164, DTXSID70427422, AQKNKAUJTJFUMG-QMMMGPOBSA-N, l(-)-n-a-boc-amino-e-caprolactam, CS-D0283, ZINC2578112, MFCD00798169, AKOS015969581, AKOS015995286, AC-6561, AN-9865, CB-1371, FCH1619445, RP27757, VC30581, AJ-42739, AK114003, AS-38489, CJ-10167, AB0077617, AX8034899, DB-075215, RT-025052, FT-0772563, ST24036395, tert-Butyl [(3S)-2-oxoazepan-3-yl]carbamate, X-2520, 944O951, A838913, S14-2340, ((S)-2-oxo-azepan-3-yl)-carbamic acid tert-butyl ester, (s)-(2-oxo-azepan-3-yl)carbamic acid tert-butyl ester, tert-butyl N-[(3S)-2-oxidanylideneazepan-3-yl]carbamate, 3-(s)-tert-butoxycarbonylamino-4,5,6,7-tetrahydroazepin-2-one, (3S)-3beta-(tert-Butoxycarbonylamino)hexahydro-1H-azepine-2-one, Carbamic acid,N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-, 1,1-dimethylethyl ester, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]Carbamic acid 1,1-dimethylethyl ester, 2-Fluoro-3-nitrotoluene, ZINC02578112, CID7022178, (S)-tert-Butyl(2-oxoazepan-3-yl)carbamate, (2-Oxo-azepan-3-yl)-carbamic acid tert-butyl ester,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P271-P280-P304+P340+P312-P405-P305+P351+P338-P403+P233-P501-P332+P313-P302+P352-P261-P264
UN Code

Certificate of Analysis

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