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

• ChemBase ID: 150600
• Molecular Formular: C7H19N3
• Molecular Mass: 145.24586
• Monoisotopic Mass: 145.15789762
• SMILES: CC(C)NCCNCCN
• Canonical SMILES: NCCNCCNC(C)C
• InChI: InChI=1S/C7H19N3/c1-7(2)10-6-5-9-4-3-8/h7,9-10H,3-6,8H2,1-2H3
• InChIKey: BTQYXSSZVKPNLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(2-aminoethyl)amino]ethyl}(propan-2-yl)amine
• IUPAC Traditional name: {2-[(2-aminoethyl)amino]ethyl}(isopropyl)amine
• Synonyms: N1-Isopropyldiethylenetriamine; N1-异丙基二乙烯三胺

Database IDs

• CAS Number: 207399-20-0
• MDL Number: MFCD00192242
• PubChem SID: 24866428; 162244761
• PubChem CID: 3449168

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -6.7772746
• LogD (pH = 7.4): -4.7905045
• Log P: -0.5808827
• Molar Refractivity: 44.535 cm^3
• Polarizability: 18.22489 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 222 °C(lit.)
• Flash Point: 24 °C; 75.2 °F
• Density: 0.88 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.463(lit.)

Safety Information

• 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
• 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: 75%
• Grade: technical grade
• Linear Formula: (CH3)2CHNHCH2CH2NHCH2CH2NH2

DETAILS

Sigma Aldrich - 422355

Packaging
5 mL in glass bottle