AG0037VR

196613-57-7 | tert-Butyl 4-aminoazepane-1-carboxylate

AG0037VR

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CAS Number	196613-57-7
Catalog Number	AG0037VR(AGN-PC-0QOGKG)
Chemical Name	tert-Butyl 4-aminoazepane-1-carboxylate
IUPAC Name	tert-butyl 4-aminoazepane-1-carboxylate
InChI	InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-4-5-9(12)6-8-13/h9H,4-8,12H2,1-3H3
InChI Key	YCOKHOLOSGJEGL-UHFFFAOYSA-N
MDL Number	MFCD07371372
Molecular Formula	C11H22N2O2
Molecular Weight	214.3046
SMILES	NC1CCN(CCC1)C(=O)OC(C)(C)C
Synonyms	tert-butyl 4-aminoazepane-1-carboxylate, 196613-57-7, 1-Boc-hexahydro-1H-azepin-4-amine, 4-Amino-Azepane-1-Carboxylic Acid Tert-Butyl Ester, 4-AMINO-1-BOC-HEXAHYDRO-1H-AZEPINE, 4-AMINO-N-1-BOC-AZEPINE, 1-Boc-4-aminoazepane, 4-Amino-1-Boc-azepane, KSC496K4T, SCHEMBL328895, CTK3J6549, DTXSID50596741, YCOKHOLOSGJEGL-UHFFFAOYSA-N, 1-n-boc-hexahydro-1h-azepin-4-, 1-N-Boc-hexahydro azepine 4-amine, BCP14028, ANW-49468, MFCD07371372, SBB070496, AKOS015855131, CB-3276, CS-W008959, GS-4045, LS20120, PB22026, RP07485, RTR-009127, KS-000002R2, tert-butyl 4-aminoazepane-1-carboxyalte, tert-butyl-4-aminoazepane-1-carboxylate, AC-30458, AK-28673, AN-30052, BR-28673, EN000629, SC-52869, AB0023168, AB1011745, DB-006649, ST1261398, TR-009127, 4CH-012858, AM20090133, FT-0082375, FT-0648467, tert-butyl 4-aminoazaperhydroepinecarboxylate, W4171, 1-N-BOC-HEXAHYDRO-1H-AZEPIN-4-AMINE, 4-Amino-1-tert-butyloxycarbonylazacycloheptane, A90102, C-8729, racemic tert-butyl 4-aminoazepan-1-carboxylate, 1-tert-Butoxycarbonylhexahydro-1H-azepin-4-amine, 1-tert-butyl 4(r/s)-aminoazepane-1-carboxylate, 4-Amino-azepane-1-carboxylic acid tert-butylester, 4-Aminoazepane-1-carboxylic acid tert-butyl ester, 613B577, S05-0185, W-206447, 1,1-dimethylethyl 4-aminohexahydro-1H-azepine-1-carboxylate, 1H-AZEPINE-1-CARBOXYLIC ACID, 4-AMINOHEXAHYDRO-, 1,1-DIMETHYLETHYL ESTER, null, Boc-4-aminohexahydro-4H-azepine, C11H22N2O2, (S)-tert-butyl 4-aminoazepane-1-carboxylate, (R)-tert-butyl 4-aminoazepane-1-carboxylate, A4305, tert-butyl (4R)-4-aminoazepane-1-carboxylate, tert-butyl (4S)-4-aminoazepane-1-carboxylate, 454451-28-6, 878630-84-3, 1174020-26-8,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	1
Isotope Atom Count	0
Molecular Weight	214.309g/mol
Monoisotopic Mass	214.168g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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