bis(propan-2-yl)amine hydrochloride

• ChemBase ID: 138676
• Molecular Formular: C6H16ClN
• Molecular Mass: 137.65094
• Monoisotopic Mass: 137.0971272
• SMILES: CC(C)NC(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(propan-2-yl)amine hydrochloride
• IUPAC Traditional name: diisopropylamine hydrochloride
• Synonyms: Diisopropylamine hydrochloride; 二异丙胺 盐酸盐

Database IDs

• CAS Number: 819-79-4
• MDL Number: MFCD00034860
• PubChem SID: 162232927; 24865905
• PubChem CID: 11320964

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

• Melting Point: 216-218 °C(lit.)

Safety Information

• RTECS: IM4340000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Linear Formula: [(CH3)2CH]2NH·HCl