2-(adamantan-1-yl)propan-2-amine hydrochloride

• ChemBase ID: 143712
• Molecular Formular: C13H24ClN
• Molecular Mass: 229.78936
• Monoisotopic Mass: 229.15972745
• SMILES: CC(C)(C12CC3CC(C1)CC(C3)C2)N.Cl
• Canonical SMILES: CC(C12CC3CC(C2)CC(C1)C3)(N)C.Cl
• InChI: InChI=1S/C13H23N.ClH/c1-12(2,14)13-6-9-3-10(7-13)5-11(4-9)8-13;/h9-11H,3-8,14H2,1-2H3;1H
• InChIKey: KUCVKLQGFFSMAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(adamantan-1-yl)propan-2-amine hydrochloride
• IUPAC Traditional name: 2-(adamantan-1-yl)propan-2-amine hydrochloride
• Synonyms: 2-(1-Adamantyl)propan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD02208075
• PubChem SID: 162237929
• PubChem CID: 53398909

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.52948886
• LogD (pH = 7.4): -0.21075866
• Log P: 2.4975824
• Molar Refractivity: 59.1603 cm^3
• Polarizability: 24.043682 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C13H24ClN

DETAILS

Sigma Aldrich - CBR00940

Other Notes
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Legal Information
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