bis[(2H7)propan-2-yl]amine hydrochloride

• ChemBase ID: 167911
• Molecular Formular: C6H16ClN
• Molecular Mass: 137.65094
• Monoisotopic Mass: 137.0971272
• SMILES: C(NC(C)C)(C)C.Cl
• Canonical SMILES: CC(NC(C)C)C.Cl
• InChI: InChI=1S/C6H15N.ClH/c1-5(2)7-6(3)4;/h5-7H,1-4H3;1H
• InChIKey: URAZVWXGWMBUGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(^2H₇)propan-2-yl]amine hydrochloride
• IUPAC Traditional name: bis(^2H₇)propan-2-ylamine hydrochloride
• Synonyms: N-(1-Methylethyl)-2-propanamine Hydrochloride; Dimethyldiethylamine Hydrochloride; Diisopropylamine Hydrochloride; Bis(isopropyl)ammonium Chloride; Diisopropylammonium Chloride; N,N-Diisopropylamine-d14 Hydrochloride

Database IDs

• CAS Number: 1219803-88-9
• PubChem SID: 162262044
• PubChem CID: 71316287

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8835524
• LogD (pH = 7.4): -1.6228405
• Log P: 1.3538874
• Molar Refractivity: 33.0282 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Water
• Apperance: White Solid
• Melting Point: 210-212°C

Safety Information

• Storage Condition: Refrigerator