{3-[(3-aminopropyl)amino]propyl}dimethylamine

• ChemBase ID: 144798
• Molecular Formular: C8H21N3
• Molecular Mass: 159.27244
• Monoisotopic Mass: 159.17354769
• SMILES: CN(C)CCCNCCCN
• Canonical SMILES: NCCCNCCCN(C)C
• InChI: InChI=1S/C8H21N3/c1-11(2)8-4-7-10-6-3-5-9/h10H,3-9H2,1-2H3
• InChIKey: OMKZWUPRGQMQJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(3-aminopropyl)amino]propyl}dimethylamine
• IUPAC Traditional name: dimethyldipropylenetriamine
• Synonyms: DMAPAPA; N,N-Dimethyldipropylenetriamine; N,N-二甲基亚二丙基三胺

Database IDs

• CAS Number: 10563-29-8
• EC Number: 234-148-4
• MDL Number: MFCD00082192
• PubChem SID: 24879085; 162239010
• PubChem CID: 82728

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -9.010302
• LogD (pH = 7.4): -5.8764067
• Log P: -0.8512983
• Molar Refractivity: 50.3931 cm^3
• Polarizability: 20.071333 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 220 °C(lit.)
• Flash Point: 104 °C; 219.2 °F
• Density: 0.883 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4630(lit.)

Safety Information

• RTECS: TX7000000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 21/22-34
• Safety Statements: 23-26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-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 2735 8/PG 2

Product Information

• Purity: 99%
• Linear Formula: (CH3)2N(CH2)3NH(CH2)3NH

DETAILS

Sigma Aldrich - 550019

Packaging
100, 500 mL in glass bottle
Legal Information
Product of Arkema Inc.