8-methyl-8-azabicyclo[3.2.1]octan-3-amine

• ChemBase ID: 15022
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: C12CCC(N1C)CC(C2)N
• Canonical SMILES: NC1CC2CCC(C1)N2C
• InChI: InChI=1S/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3
• InChIKey: HJGMRAKQWLKWMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-8-azabicyclo[3.2.1]octan-3-amine
• IUPAC Traditional name: 8-methyl-8-azabicyclo[3.2.1]octan-3-amine
• Synonyms: 8-Methyl-8-azabicyclo[3.2.1]octan-3-amine; endo-8-Methyl-8-azabicyclo[3.2.1]octan-3-aMine

Database IDs

• CAS Number: 87571-88-8; 27302-93-8; 98998-25-5
• MDL Number: MFCD00210699
• PubChem SID: 160978329
• PubChem CID: 408394

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.2339015
• LogD (pH = 7.4): -4.3132205
• Log P: -0.073321134
• Molar Refractivity: 42.2513 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 42-45°C/0.75mm; 82°C/8mm

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%