4-methylpentanimidamide hydrochloride

• ChemBase ID: 144051
• Molecular Formular: C6H15ClN2
• Molecular Mass: 150.6497
• Monoisotopic Mass: 150.09237617
• SMILES: CC(C)CCC(=N)N.Cl
• Canonical SMILES: CC(CCC(=N)N)C.Cl
• InChI: InChI=1S/C6H14N2.ClH/c1-5(2)3-4-6(7)8;/h5H,3-4H2,1-2H3,(H3,7,8);1H
• InChIKey: BVWGMWLHWMOSOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpentanimidamide hydrochloride
• IUPAC Traditional name: 4-methylpentanimidamide hydrochloride
• Synonyms: 4-Methylpentanimidamide hydrochloride

Database IDs

• MDL Number: MFCD13193856
• PubChem SID: 162238268
• PubChem CID: 14144284

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4992219
• LogD (pH = 7.4): -1.4988497
• Log P: 0.9162321
• Molar Refractivity: 45.4375 cm^3
• Polarizability: 13.645636 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C6H15ClN2

DETAILS

Sigma Aldrich - CBR00806

Other Notes
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Legal Information
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