(2-{bis[2-(methylamino)ethyl]amino}ethyl)(methyl)amine

• ChemBase ID: 139435
• Molecular Formular: C9H24N4
• Molecular Mass: 188.31366
• Monoisotopic Mass: 188.20009679
• SMILES: CNCCN(CCNC)CCNC
• Canonical SMILES: CNCCN(CCNC)CCNC
• InChI: InChI=1S/C9H24N4/c1-10-4-7-13(8-5-11-2)9-6-12-3/h10-12H,4-9H2,1-3H3
• InChIKey: GMLHUKQBMDKQBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{bis[2-(methylamino)ethyl]amino}ethyl)(methyl)amine
• IUPAC Traditional name: (2-{bis[2-(methylamino)ethyl]amino}ethyl)(methyl)amine
• Synonyms: Tris[2-(methylamino)ethyl]amine; 三[2-(甲基氨基)乙基]胺

Database IDs

• CAS Number: 65604-89-9
• MDL Number: MFCD00464600
• PubChem SID: 162233683; 24870078
• PubChem CID: 10888709

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -10.548097
• LogD (pH = 7.4): -8.277221
• Log P: -0.90304077
• Molar Refractivity: 58.1613 cm^3
• Polarizability: 23.437965 Å^3
• Polar Surface Area: 39.33 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 77-78 °C/0.1 mmHg(lit.)
• Flash Point: 108 °C; 226.4 °F
• Density: 0.896 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3267
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: 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 3267 8/PG 2

Product Information

• Purity: 97%
• Linear Formula: (H3CNHCH2CH2)3N

DETAILS

Sigma Aldrich - 463531

Packaging
5, 25 g in glass bottle