hexahydro-1H-pyrrolizin-7a-ylmethanamine dihydrochloride

• ChemBase ID: 144037
• Molecular Formular: C8H18Cl2N2
• Molecular Mass: 213.14792
• Monoisotopic Mass: 212.08470395
• SMILES: C1CC2(CCCN2C1)CN.Cl.Cl
• Canonical SMILES: NCC12CCCN2CCC1.Cl.Cl
• InChI: InChI=1S/C8H16N2.2ClH/c9-7-8-3-1-5-10(8)6-2-4-8;;/h1-7,9H2;2*1H
• InChIKey: RANYCJGXQIDGTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexahydro-1H-pyrrolizin-7a-ylmethanamine dihydrochloride
• IUPAC Traditional name: hexahydropyrrolizin-7a-ylmethanamine dihydrochloride
• Synonyms: (Tetrahydro-1H-pyrrolizin-7a(5H)-ylmethyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD18071211
• PubChem SID: 162238254
• PubChem CID: 53398819

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.1401587
• LogD (pH = 7.4): -3.2514172
• Log P: 0.18831638
• Molar Refractivity: 42.5797 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H18Cl2N2

DETAILS

Sigma Aldrich - CBR00682

Other Notes
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Legal Information
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