(1-aminopropan-2-yl)diethylamine

• ChemBase ID: 19244
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: N(C(CN)C)(CC)CC
• Canonical SMILES: NCC(N(CC)CC)C
• InChI: InChI=1S/C7H18N2/c1-4-9(5-2)7(3)6-8/h7H,4-6,8H2,1-3H3
• InChIKey: JNFLSJUGIONDMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-aminopropan-2-yl)diethylamine
• IUPAC Traditional name: (1-aminopropan-2-yl)diethylamine
• Synonyms: N-(2-amino-1-methylethyl)-N,N-diethylamine; N*2*,N*2*-Diethyl-propane-1,2-diamine

Database IDs

• CAS Number: 5137-13-3
• MDL Number: MFCD00014819
• PubChem SID: 160982551
• PubChem CID: 12647537

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2680569
• LogD (pH = 7.4): -2.109281
• Log P: 0.5233766
• Molar Refractivity: 41.8539 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.044

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%