AG00228K

180683-64-1 | (1S,2S)-(+)-Boc-1,2-diaminocyclohexane

AG00228K

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CAS Number	180683-64-1
Catalog Number	AG00228K(AGN-PC-0O5468)
Chemical Name	(1S,2S)-(+)-Boc-1,2-diaminocyclohexane
IUPAC Name	tert-butyl N-[(1S,2S)-2-aminocyclohexyl]carbamate
InChI	InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9-/m0/s1
InChI Key	AKVIZYGPJIWKOS-IUCAKERBSA-N
MDL Number	MFCD08460986
Molecular Formula	C11H22N2O2
Molecular Weight	214.3046
SMILES	N[C@@H]1[C@@H](NC(OC(C)(C)C)=O)CCCC1
Synonyms	180683-64-1, tert-Butyl ((1S,2S)-2-aminocyclohexyl)carbamate, tert-butyl N-[(1S,2S)-2-aminocyclohexyl]carbamate, (1S,2S)-trans-N-Boc-1,2-Cyclohexanediamine, 1-N-Boc-1(S),2(S)-cyclohexyldiamine, (1S,2S)-(+)-Boc-1,2-diaminocyclohexane, tert-butyl (1S,2S)-2-aminocyclohexylcarbamate, tert-Butyl [(1S,2S)-2-aminocyclohexyl]carbamate, Trans (1S,2S)-1N-Boc-cyclohexane-1,2-diamine, Carbamic acid, [(1S,2S)-2-aminocyclohexyl]-, 1,1-dimethylethyl ester, AK-76940, AC1LTTFU, PubChem15150, (1S,2R)-1,2-Diaminocyclohexane, N1-BOC protected, SCHEMBL765453, DTXSID10363875, AKVIZYGPJIWKOS-IUCAKERBSA-N, KS-000002EM, ZINC4202980, ANW-60127, MFCD08460986, AKOS005145887, AKOS015841372, EBD2197725, FCH1619023, LS30044, OR51933, SB17592, AJ-48569, DS-16917, SC-14929, AB0047992, AX8043843, RT-005319, ST2419875, TL8001444, (1S,2S)-1-(Boc-amino)cyclohexan-2-amine, A4004, CS-0000127, FT-0684440, V3900, K-5524, A823308, (1S,2S)-1-N-(tert-Butoxycarbonylamino]cyclohexane, J-011538, S14-2450, (1S,2S)-1-AMINO-2-(BOC-AMINO)-CYCLOHEXANE, (1S,2S)-trans-N-Boc-1,2-cyclohexanediamine, 97%, tert-Butyl [(1S,2R)-2-aminocyclohex-1-yl]carbamate, tert-butyl N-[(1S,2S)-2-azanylcyclohexyl]carbamate, (1S,2S)-1-(N-t-butyloxycarbonylamino)-2-aminocyclohexane, (1S)-N-(tert-Butoxycarbonyl)cyclohexane-1alpha,2beta-diamine, N-[(1S,2S)-2-aminocyclohexyl]carbamic acid tert-butyl ester, (1S,2S)-Boc-1,2-diaminocyclohexane, C11H22N2O2, ACN-049842, CB11495, CID1514391, (1S,2S)-trans-N-Boc-1,2- cyclohexanediamine, Tert-butyl N-(2-aminocyclohexyl)carbamate, tert-Butyl((1S,2S)-2-aminocyclohexyl)carbamate, tert-Butyl ((1S,2R)-2-aminocyclohexyl)carbamate, (1S,2S)-trans-N-Boc-1,2-cyclohexanediamine, 97% - 1G 1g, 365996-30-1, Carbamic acid, [(1S,2S)-2-aminocyclohexyl]-, 1,1-dimethylethyl ester (9CI), 137731-41-0,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
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	64.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3259

Certificate of Analysis

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