{2-[bis({2-[(propan-2-yl)amino]ethyl})amino]ethyl}(propan-2-yl)amine

• ChemBase ID: 142306
• Molecular Formular: C15H36N4
• Molecular Mass: 272.47314
• Monoisotopic Mass: 272.29399717
• SMILES: CC(C)NCCN(CCNC(C)C)CCNC(C)C
• Canonical SMILES: CC(NCCN(CCNC(C)C)CCNC(C)C)C
• InChI: InChI=1S/C15H36N4/c1-13(2)16-7-10-19(11-8-17-14(3)4)12-9-18-15(5)6/h13-18H,7-12H2,1-6H3
• InChIKey: XUIXOJXQJNMJGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[bis({2-[(propan-2-yl)amino]ethyl})amino]ethyl}(propan-2-yl)amine
• IUPAC Traditional name: (2-{bis[2-(isopropylamino)ethyl]amino}ethyl)(isopropyl)amine
• Synonyms: Tris[2-(isopropylamino)ethyl]amine; 三[2-(异丙基氨基)乙基]胺

Database IDs

• CAS Number: 157794-54-2
• MDL Number: MFCD06411346
• PubChem SID: 162236536; 24883374
• PubChem CID: 15763533

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -8.253518
• LogD (pH = 7.4): -6.364918
• Log P: 1.4171082
• Molar Refractivity: 85.6635 cm^3
• Polarizability: 34.51673 Å^3
• Polar Surface Area: 39.33 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 120 °C/0.5 mmHg(lit.)
• Flash Point: 143.6 °F; 62 °C
• Density: 0.858 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.453

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• 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 2735 8/PG 2

Product Information

• Purity: 90%
• Empirical Formula (Hill Notation): C15H36N4

DETAILS

Sigma Aldrich - 645095

Packaging
5 g in glass bottle