(1-methylpyrrolidin-2-yl)methanamine dihydrochloride

• ChemBase ID: 143743
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 186.06905388
• SMILES: CN1CCCC1CN.Cl.Cl
• Canonical SMILES: NCC1CCCN1C.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c1-8-4-2-3-6(8)5-7;;/h6H,2-5,7H2,1H3;2*1H
• InChIKey: IJGRIKWUFZJOEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methylpyrrolidin-2-yl)methanamine dihydrochloride
• IUPAC Traditional name: (1-methylpyrrolidin-2-yl)methanamine dihydrochloride
• Synonyms: 1-(1-Methylpyrrolidin-2-yl)methanamine dihydrochloride

Database IDs

• MDL Number: MFCD18071212
• PubChem SID: 162237960
• PubChem CID: 53398823

CALCULATED PROPERTIES

• Molar Refractivity: 35.1491 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.1451473
• LogD (pH = 7.4): -2.8681512
• Log P: -0.1412498

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C6H16Cl2N2

DETAILS

Sigma Aldrich - CBR00699

Other Notes
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Legal Information
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