(1-aminopropan-2-yl)dimethylamine

• ChemBase ID: 33042
• Molecular Formular: C5H14N2
• Molecular Mass: 102.17806
• Monoisotopic Mass: 102.11569846
• SMILES: N(C(CN)C)(C)C
• Canonical SMILES: NCC(N(C)C)C
• InChI: InChI=1S/C5H14N2/c1-5(4-6)7(2)3/h5H,4,6H2,1-3H3
• InChIKey: WNLWBCIUNCAMPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-aminopropan-2-yl)dimethylamine
• IUPAC Traditional name: (1-aminopropan-2-yl)dimethylamine
• Synonyms: (2-amino-1-methylethyl)dimethylamine; N-(2-Amino-1-methylethyl)-N,N-dimethylamine; (1-aminopropan-2-yl)dimethylamine

Database IDs

• CAS Number: 19764-58-0
• MDL Number: MFCD00014818
• PubChem SID: 160996349
• PubChem CID: 89217

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.97546
• LogD (pH = 7.4): -2.660345
• Log P: -0.19023933
• Molar Refractivity: 32.3567 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.014

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%