AG006Z0C

1354351-56-6 | (R)-tert-Butyl azepan-3-ylcarbamate

AG006Z0C

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CAS Number	1354351-56-6
Catalog Number	AG006Z0C(AGN-PC-0WA2Q3)
Chemical Name	(R)-tert-Butyl azepan-3-ylcarbamate
IUPAC Name	tert-butyl N-[(3R)-azepan-3-yl]carbamate
InChI	InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-7-12-8-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1
InChI Key	NZEPWAXJSWYEDV-SECBINFHSA-N
MDL Number	MFCD19686115
Molecular Formula	C11H22N2O2
Molecular Weight	214.3046
SMILES	O=C(OC(C)(C)C)N[C@H]1CNCCCC1
Synonyms	(R)-tert-Butyl azepan-3-ylcarbamate, 1354351-56-6, (R)-3-Boc-amino-azepane, tert-butyl (R)-azepan-3-ylcarbamate, AK102827, (R)-tert-Butylazepan-3-ylcarbamate, tert-Butyl (3R)-azepan-3-ylcarbamate, SCHEMBL14209056, CTK8C0853, KS-00000QAE, DTXSID30716763, NZEPWAXJSWYEDV-SECBINFHSA-N, 6327AA, ANW-65361, MFCD19686115, ZINC39093808, (R)-tert-Butyl-azepan-3-ylcarbamate, AKOS005264764, CB-4024, DS-3956, FCH3524517, SB18645, AC-29488, AJ-98316, AX8234366, TC-154106, CS-0078603, J1284, ST24035663, Z-7906, N-[(3R)-Hexahydro-1H-azepin-3-yl]carbamic acid 1,1-dimethylethyl ester, C11H22N2O2,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	214.168g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	214.309g/mol
Monoisotopic Mass	214.168g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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