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

• ChemBase ID: 111360
• Molecular Formular: C10H25N3
• Molecular Mass: 187.3256
• Monoisotopic Mass: 187.20484782
• SMILES: CN(C)CCCNCCCN(C)C
• Canonical SMILES: CN(CCCNCCCN(C)C)C
• InChI: InChI=1S/C10H25N3/c1-12(2)9-5-7-11-8-6-10-13(3)4/h11H,5-10H2,1-4H3
• InChIKey: BXYVQNNEFZOBOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-{[3-(dimethylamino)propyl]amino}propyl)dimethylamine
• IUPAC Traditional name: tetramethyldipropylenetriamine
• Synonyms: 3,3'-BIS(DIMETHYLAMINO)-DIPROPYLAMINE; 3,3′-Iminobis(N,N-dimethylpropylamine); N1-(3-(Dimethylamino)propyl)-N3,N3-dimethylpropane-1,3-diamine; 3,3′-亚氨基双(N,N-二甲基丙胺)

Database IDs

• CAS Number: 6711-48-4
• EC Number: 229-761-9
• MDL Number: MFCD00014880
• PubChem SID: 24861585; 162103248
• PubChem CID: 81207

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -8.252468
• LogD (pH = 7.4): -4.7184787
• Log P: -0.03566995
• Molar Refractivity: 60.4624 cm^3
• Polarizability: 23.764492 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -78 °C(lit.)
• Boiling Point: 128-131 °C/20 mmHg(lit.)
• Flash Point: 208.4 °F; 98 °C
• Density: 0.841 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.449(lit.)

Safety Information

• RTECS: JM1925000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2922
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 21/22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H311-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 2922 8/PG 3

Product Information

• Purity: 95+%; 97%
• Linear Formula: HN[(CH2)3N(CH3)2]2

DETAILS

MP Biomedicals - 05218830

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 348554

Packaging
100 mL in glass bottle