AG003ITQ

609789-17-5 | tert-Butyl 3-aminoazepane-1-carboxylate

AG003ITQ

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CAS Number	609789-17-5
Catalog Number	AG003ITQ(AGN-PC-03Y30S)
Chemical Name	tert-Butyl 3-aminoazepane-1-carboxylate
IUPAC Name	tert-butyl 3-aminoazepane-1-carboxylate
InChI	InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(12)8-13/h9H,4-8,12H2,1-3H3
InChI Key	WXWILWLHHQGUCX-UHFFFAOYSA-N
MDL Number	MFCD06738754
Molecular Formula	C11H22N2O2
Molecular Weight	214.3046
SMILES	O=C(N1CC(N)CCCC1)OC(C)(C)C
Synonyms	609789-17-5, tert-butyl 3-aminoazepane-1-carboxylate, 1-Boc-3-Aminoazepane, 3-Amino-azepane-1-carboxylic acid tert-butyl ester, 3-Amino-1-N-Boc-azepane, 3-Amino-1-Boc-azepane, (R)-1-Boc-3-aminoazepane, 3-AMINOAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, 3-Aminoazepane-1-carboxylic acid tert-butylester, AK-49002, PubChem23526, (3R)-3-Amino-azepane-1-carboxylic acid tert-butyl ester, (3R)-3-Aminohexahydro-1H-azepine-1-carboxylic acid tert-butyl ester, SCHEMBL1365293, CTK5B2513, KS-00001DXD, DTXSID10630190, WXWILWLHHQGUCX-UHFFFAOYSA-N, BCP06834, CS-B0645, ANW-45734, MFCD06738754, WT1122, AKOS012671339, tert-butyl3-aminoazepane-1-carboxylate, AB27819, RP26830, SB12846, TRA0015955, TRA0075626, tert-butyl-3-aminoazepane-1-carboxylate, AN-27757, SC-29421, SY021961, SY025355, AB0025798, DB-072878, rac-tert-butyl 3-aminoazepane-1-carboxylate, RT-008539, ST2419933, 4CH-002004, 4CH-012500, AM20100485, BB 0260760, FT-0648652, W7332, EN300-70547, A-1955, A58247, (+/-)-tert-butyl 3-aminoazepane-1-carboxylate, MFCD06738754 (95+%), MFCD11041391 (95+%), 789A175, J-504353, S14-2259, F8889-1236, 1,1-Dimethylethyl 3-Aminohexahydro-1H-azepine-1-carboxylate, 1032684-85-7 3-Amino-azepane-1-carboxylic acid tert-butyl ester, 3-Aminohexahydro-1H-azepine-1-carboxylic Acid 1,1-Dimethylethyl Ester, 3-Boc-amino-azepane, C11H22N2O2, (S)-tert-Butyl 3-aminoazepane-1-carboxylate, (R)-tert-Butyl 3-aminoazepane-1-carboxylate, 3-Amino-1-boc-azepane, 98% - 1G 1g, 1032684-85-7, 625471-04-7, tert-Butyl (3S)-3-Aminoazepane-1-carboxylate,

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	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2735

Certificate of Analysis

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