(1-aminopropan-2-yl)dimethylamine hydrochloride

• ChemBase ID: 256096
• Molecular Formular: C5H15ClN2
• Molecular Mass: 138.639
• Monoisotopic Mass: 138.09237617
• SMILES: N(C(CN)C)(C)C.Cl
• Canonical SMILES: NCC(N(C)C)C.Cl
• InChI: InChI=1S/C5H14N2.ClH/c1-5(4-6)7(2)3;/h5H,4,6H2,1-3H3;1H
• InChIKey: JBKXGCKLPGLGRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10686754
• PubChem SID: 164312006
• PubChem CID: 42933683

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

• Melting Point: 93 - 95°C
• Hydrophobicity(logP): -0.014

Product Information

• Purity: 95%