(propan-2-yl)(propyl)amine

• ChemBase ID: 257895
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: N(C(C)C)CCC
• Canonical SMILES: CCCNC(C)C
• InChI: InChI=1S/C6H15N/c1-4-5-7-6(2)3/h6-7H,4-5H2,1-3H3
• InChIKey: VLSTXUUYLIALPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (propan-2-yl)(propyl)amine
• IUPAC Traditional name: isopropyl-propyl-amine
• Synonyms: N-Isopropylpropylamine; propan-2-yl(propyl)amine; N-异丙醇丙基胺

Database IDs

• CAS Number: 21968-17-2
• EC Number: 244-688-2
• MDL Number: MFCD00027095
• PubChem SID: 164313805
• PubChem CID: 89119

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7778045
• LogD (pH = 7.4): -1.5256643
• Log P: 1.4598348
• Molar Refractivity: 33.1334 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.378

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2733
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-34
• Safety Statements: 20-23-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H224-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95%; 96%