AG003BJ9

767291-67-8 | (1S,2S)-N1,N2-Bis(3,3-dimethylbutyl)-N1,N2-dimethylcyclohexane-1,2-diamine

AG003BJ9

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CAS Number	767291-67-8
Catalog Number	AG003BJ9(AGN-PC-0WA1PL)
Chemical Name	(1S,2S)-N1,N2-Bis(3,3-dimethylbutyl)-N1,N2-dimethylcyclohexane-1,2-diamine
IUPAC Name	(1S,2S)-1-N,2-N-bis(3,3-dimethylbutyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
InChI	InChI=1S/C20H42N2/c1-19(2,3)13-15-21(7)17-11-9-10-12-18(17)22(8)16-14-20(4,5)6/h17-18H,9-16H2,1-8H3/t17-,18-/m0/s1
InChI Key	VGCWVKVNKNXOGZ-ROUUACIJSA-N
MDL Number	MFCD11869717
Molecular Formula	C20H42N2
Molecular Weight	310.5609
SMILES	CN(CCC(C)(C)C)[C@@H]1[C@@H](N(CCC(C)(C)C)C)CCCC1
Synonyms	767291-67-8, (1S,2S)-N,N'-Dimethyl-N,N'-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine, (1S,2S)-N1,N2-Bis(3,3-dimethylbutyl)-N1,N2-dimethylcyclohexane-1,2-diamine, (1S,2S)-N1,N2-Bis(3,3-dimethylbutyl)-N1,N2-dimethyl-1,2-diaminocyclohexane, C20H42N2, SCHEMBL2805822, CTK5E3358, DTXSID80464540, ANW-36878, MFCD11869717, ZINC44075626, AKOS015841829, AKOS015894997, RTR-037745, KS-0000149B, AK-37027, AJ-109134, TR-037745, AM20120650, D3809, X6097, B-4451, I05-681, (1S,2S)-N,N'-Dimethyl-N,N'-bis(3,3-dimethylbutyl)-1,2-cyclohexanediamine, (1S,2S)-N,N\'-DiMethyl-N,N\'-bis(3,3-diMethylbutyl)cyclohexane-1,2-diaMine, (1S,2S)-N~1~,N~2~-Bis(3,3-dimethylbutyl)-N~1~,N~2~-dimethylcyclohexane-1,2-diamine, (1S,2S)-N1,N2-Bis(3,3-dimethyl butyl)-N1,N2-dimethyl-1,2-diaminocyclohexane, VGCWVKVNKNXOGZ-ROUUACIJSA-N, ACN-034695, CID11392766, -N,N'-Dimethyl-N,N'-bis cyclohexane-1,2-diamine, (1S,2S)-N,N'-Bis(3,3-dimethylbutyl)-N,N'-dimethyl-1,2-cyclohexanediamine, (1S,2S)-N,N'-bis(3,3-dimethylbutyl)-N,N'-dimethyl-cyclohexane-1,2-diamine,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	310.335g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	310.57g/mol
Monoisotopic Mass	310.335g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	6.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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