AG0036ZM

625471-04-7 | (S)-tert-Butyl 3-aminoazepane-1-carboxylate

AG0036ZM

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CAS Number	625471-04-7
Catalog Number	AG0036ZM(AGN-PC-0T4YKR)
Chemical Name	(S)-tert-Butyl 3-aminoazepane-1-carboxylate
IUPAC Name	tert-butyl (3S)-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/t9-/m0/s1
InChI Key	WXWILWLHHQGUCX-VIFPVBQESA-N
MDL Number	MFCD11041390
Molecular Formula	C11H22N2O2
Molecular Weight	214.3046
SMILES	N[C@@H]1CN(CCCC1)C(=O)OC(C)(C)C
Synonyms	625471-04-7, (S)-tert-Butyl 3-aminoazepane-1-carboxylate, tert-Butyl (3S)-3-Aminoazepane-1-carboxylate, (S)-3-AMINO-1-BOC-AZEPANE, (3S)-3-Aminoazepane-1-carboxylic Acid tert-Butyl Ester, (R)-1-Boc-3-aminoazepane, AK-49002, 1-Boc-(3S)-3-aminoazepane, SCHEMBL1563471, CTK8B6264, DTXSID30653023, WXWILWLHHQGUCX-VIFPVBQESA-N, BCP09828, CS-D0273, ANW-53166, MFCD11041390, WT1133, ZINC26896552, AKOS015900998, FCH3649545, KS-000004Q5, AC-29389, AJ-83050, AM804150, DS-14858, SC-48316, AB0077620, AX8223527, TC-141911, (S)-tert-Butyl-3-aminoazepane-1-carboxylate, FT-0661579, ST24020894, tert-butyl (S)-3-aminoazepane-1-carboxylate, (S);-tert-Butyl 3-aminoazepane-1-carboxylate, X-3527, 1,1-dimethylethyl (3S)-3-aminoazepane-1-carboxylate, I14-16252, (S)-3-amino-azepane-1-carboxylic acid tert-butyl ester, (3S)-3-Amino-azepane-1-carboxylic acid tert-butyl ester, 625471-04-7 tert-butyl (3S)-3-aminoazepane-1-carboxylate, (3S)-3-Aminohexahydro-1H-azepine-1-carboxylic Acid 1,1-Dimethylethyl Ester, tert-Butyl (3R)-3-Aminoazepane-1-carboxylate, 3-Amino-azepane-1-carboxylic acid tert-butyl ester, 1032684-85-7,

Complexity	223
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	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	0
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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