ISOVALERAMIDE, N-(BENZYLAMIDINO)-, SULFATE (2:1)

bis(benzyl-[N'-(3-methylbutanoyl)carbamimidoyl]azanium);sulfate

CAS: 20801-68-7

Molecular Formula	`C26H40N6O6S`
Molecular Weight	564.7 g/mol
Topological Polar Surface Area	233.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	564.273
Heavy Atoms	39
Complexity	330.0

Chemical Identifiers

CAS Number	20801-68-7
SMILES	`CC(C)CC(=O)N=C(N)[NH2+]CC1=CC=CC=C1.CC(C)CC(=O)N=C(N)[NH2+]CC1=CC=CC=C1.[O-]S(=O)(=O)[O-]`
InChIKey	`LXWSQFOOWZYXIK-UHFFFAOYSA-N`

📖 Product Overview

ISOVALERAMIDE, N-(BENZYLAMIDINO)-, SULFATE (2:1) (CAS: 20801-68-7) is a chemical compound with molecular formula C26H40N6O6S and molecular weight 564.7 g/mol. Its IUPAC systematic name is bis(benzyl-[N'-(3-methylbutanoyl)carbamimidoyl]azanium);sulfate. Topological Polar Surface Area 233.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 6 Rotatable Bonds 10 Exact Mass 564.273 Heavy Atoms 39 Complexity 330.0 InChI Key: LXWSQFOOWZYXIK-UHFFFAOYSA-N. SMILES: CC(C)CC(=O)N=C(N)[NH2+]CC1=CC=CC=C1.CC(C)CC(=O)N=C(N)[NH2+]CC1=CC=CC=C1.[O-]S(=O)(=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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