(3-amino-3-methylbutyl)dimethylamine

• ChemBase ID: 293151
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: CC(N)(C)CCN(C)C
• Canonical SMILES: CN(CCC(N)(C)C)C
• InChI: InChI=1S/C7H18N2/c1-7(2,8)5-6-9(3)4/h5-6,8H2,1-4H3
• InChIKey: XJZJEGHBTQCDKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-amino-3-methylbutyl)dimethylamine
• IUPAC Traditional name: (3-amino-3-methylbutyl)dimethylamine
• Synonyms: N1,N1,3-Trimethylbutane-1,3-diamine

Database IDs

• CAS Number: 933738-55-7
• MDL Number: MFCD11846139
• PubChem SID: 180678682
• PubChem CID: 22743653

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.7511864
• LogD (pH = 7.4): -3.7962327
• Log P: 0.15029709
• Molar Refractivity: 41.8603 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%