(5-aminopentyl)bis(propan-2-yl)amine

• ChemBase ID: 10701
• Molecular Formular: C11H26N2
• Molecular Mass: 186.33754
• Monoisotopic Mass: 186.20959884
• SMILES: N(CCCCCN)(C(C)C)C(C)C
• Canonical SMILES: NCCCCCN(C(C)C)C(C)C
• InChI: InChI=1S/C11H26N2/c1-10(2)13(11(3)4)9-7-5-6-8-12/h10-11H,5-9,12H2,1-4H3
• InChIKey: CIFBCEXYFFKMEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-aminopentyl)bis(propan-2-yl)amine
• IUPAC Traditional name: (5-aminopentyl)diisopropylamine
• Synonyms: 5-(Diisopropylamino)amylamine; 5-(Diisopropylamino)pentylamine; N,N-Diisopropyl-1,5-pentanediamine; 5-(Diisopropylamino)amylamine; N,N-二异丙基-1,5-戊二胺

Database IDs

• CAS Number: 209803-40-7
• MDL Number: MFCD00048285
• PubChem SID: 160974008
• PubChem CID: 3790585

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.557928
• LogD (pH = 7.4): -3.8357973
• Log P: 1.9618427
• Molar Refractivity: 60.3837 cm^3
• Polarizability: 24.093277 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%