Compound C16H27Cl2N3O

(2-methyl-5-propan-2-ylcyclohexyl)-(pyridin-1-ium-4-carbonylamino)azanium dichloride

CAS: 15407-90-6

Molecular Formula	`C16H27Cl2N3O`
Molecular Weight	348.3 g/mol
Topological Polar Surface Area	59.9 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	347.1531
Heavy Atoms	22
Complexity	313.0

Chemical Identifiers

CAS Number	15407-90-6
SMILES	`CC1CCC(CC1[NH2+]NC(=O)C2=CC=[NH+]C=C2)C(C)C.[Cl-].[Cl-]`
InChIKey	`SGGVCDUPVSHSJY-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H27Cl2N3O (CAS: 15407-90-6) is a chemical compound with molecular formula C16H27Cl2N3O and molecular weight 348.3 g/mol. Its IUPAC systematic name is (2-methyl-5-propan-2-ylcyclohexyl)-(pyridin-1-ium-4-carbonylamino)azanium dichloride. Topological Polar Surface Area 59.9 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 347.1531 Heavy Atoms 22 Complexity 313.0 InChI Key: SGGVCDUPVSHSJY-UHFFFAOYSA-N. SMILES: CC1CCC(CC1[NH2+]NC(=O)C2=CC=[NH+]C=C2)C(C)C.[Cl-].[Cl-].

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