(1-amino-3-methylbutan-2-yl)dimethylamine

• ChemBase ID: 33570
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: C(N(C)C)(C(C)C)CN
• Canonical SMILES: NCC(N(C)C)C(C)C
• InChI: InChI=1S/C7H18N2/c1-6(2)7(5-8)9(3)4/h6-7H,5,8H2,1-4H3
• InChIKey: DJVWTEQJNMZOQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-amino-3-methylbutan-2-yl)dimethylamine
• IUPAC Traditional name: (1-amino-3-methylbutan-2-yl)dimethylamine
• Synonyms: N~2~,N~2~,3-trimethyl-1,2-butanediamine; N-[1-(Aminomethyl)-2-methylpropyl]-N,N-dimethylamine

Database IDs

• CAS Number: 19764-61-5
• MDL Number: MFCD08444514
• PubChem SID: 160996877
• PubChem CID: 16227974

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0862164
• LogD (pH = 7.4): -1.8664109
• Log P: 0.6972559
• Molar Refractivity: 41.3523 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.914

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%