(3-aminopropyl)(propyl)amine

• ChemBase ID: 24394
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: N(CCCN)CCC
• Canonical SMILES: CCCNCCCN
• InChI: InChI=1S/C6H16N2/c1-2-5-8-6-3-4-7/h8H,2-7H2,1H3
• InChIKey: OWKYZAGJTTTXOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)(propyl)amine
• IUPAC Traditional name: (3-aminopropyl)(propyl)amine
• Synonyms: N1-Propyl-1,3-propanediamine; N-Propyl-1,3-propanediamine; N1-Propylpropane-1,3-diamine; N-丙基-1,3-丙二胺

Database IDs

• CAS Number: 23764-31-0
• EC Number: 245-869-9
• MDL Number: MFCD00008212
• PubChem SID: 160987701; 24858653
• PubChem CID: 90250

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.93205
• LogD (pH = 7.4): -4.0890627
• Log P: -0.05057219
• Molar Refractivity: 36.7812 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 169 °C(lit.)
• Flash Point: 129.2 °F; 54 °C
• Density: 0.841 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4451(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: 2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2734 8/PG 2

Product Information

• Purity: 95+%; 99%
• Linear Formula: CH3CH2CH2NH(CH2)3NH2

DETAILS

Sigma Aldrich - 308153

Packaging
5, 25 g in glass bottle