adamantan-1-ylmethanamine

• ChemBase ID: 26214
• Molecular Formular: C11H19N
• Molecular Mass: 165.27526
• Monoisotopic Mass: 165.15174961
• SMILES: C12(CC3CC(C1)CC(C2)C3)CN
• Canonical SMILES: NCC12CC3CC(C2)CC(C1)C3
• InChI: InChI=1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2
• InChIKey: XSOHXMFFSKTSIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: adamantan-1-ylmethanamine
• IUPAC Traditional name: adamantan-1-ylmethanamine
• Synonyms: (1-adamantylmethyl)amine; 1-(1-Adamantyl)methanamine; Adamantan-1-ylmethanamine

Database IDs

• CAS Number: 17768-41-1
• MDL Number: MFCD00074750
• PubChem SID: 160989521
• PubChem CID: 86625

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2145945
• LogD (pH = 7.4): -0.5923538
• Log P: 1.8004308
• Molar Refractivity: 50.1033 cm^3
• Polarizability: 20.35101 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%