(5-aminopentyl)diethylamine

• ChemBase ID: 10694
• Molecular Formular: C9H22N2
• Molecular Mass: 158.28438
• Monoisotopic Mass: 158.17829871
• SMILES: C(N(CC)CCCCCN)C
• Canonical SMILES: NCCCCCN(CC)CC
• InChI: InChI=1S/C9H22N2/c1-3-11(4-2)9-7-5-6-8-10/h3-10H2,1-2H3
• InChIKey: JYCCKJSLUHEIDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-aminopentyl)diethylamine
• IUPAC Traditional name: (5-aminopentyl)diethylamine
• Synonyms: 5-DIETHYLAMINOAMYLAMINE; 5-(Diethylamino)pentylamine

Database IDs

• CAS Number: 34987-15-0
• MDL Number: MFCD00047979
• PubChem SID: 160974001
• PubChem CID: 4584949

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.3766065
• LogD (pH = 7.4): -4.299795
• Log P: 1.1286926
• Molar Refractivity: 51.5461 cm^3
• Polarizability: 20.399456 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: CORROSIVE
• RTECS: XE1900000
• European Hazard Symbols: Toxic (T)
• Risk Statements: R:25
• Safety Statements: S:28-36/37/39-45-53
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05212124

MP Biomedicals Rare Chemical collection