2,5-dichloropentan-1-amine

• ChemBase ID: 294151
• Molecular Formular: C5H11Cl2N
• Molecular Mass: 156.05354
• Monoisotopic Mass: 155.02685472
• SMILES: NCC(Cl)CCCCl
• Canonical SMILES: ClCCCC(CN)Cl
• InChI: InChI=1S/C5H11Cl2N/c6-3-1-2-5(7)4-8/h5H,1-4,8H2
• InChIKey: KFAUCDBUVPJWSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloropentan-1-amine
• IUPAC Traditional name: 2,5-dichloropentan-1-amine
• Synonyms: 2,5-Dichloropentan-1-amine

Database IDs

• CAS Number: 108766-06-9
• MDL Number: MFCD06654496
• PubChem SID: 180679682
• PubChem CID: 533936

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5947477
• LogD (pH = 7.4): -0.3767263
• Log P: 1.3406103
• Molar Refractivity: 37.7856 cm^3
• Polarizability: 15.146257 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%