tris(propan-2-yl)amine

• ChemBase ID: 130000
• Molecular Formular: C9H21N
• Molecular Mass: 143.26974
• Monoisotopic Mass: 143.16739968
• SMILES: CC(C)N(C(C)C)C(C)C
• Canonical SMILES: CC(N(C(C)C)C(C)C)C
• InChI: InChI=1S/C9H21N/c1-7(2)10(8(3)4)9(5)6/h7-9H,1-6H3
• InChIKey: RKBCYCFRFCNLTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(propan-2-yl)amine
• IUPAC Traditional name: triisopropylamine
• Synonyms: Triisopropylamine; Triisopropylamine; 三异丙胺

Database IDs

• CAS Number: 3424-21-3
• EC Number: 222-317-5
• MDL Number: MFCD00674009
• PubChem SID: 162224286
• PubChem CID: 61924
• Chemspider ID: 55785
• Unique Ingredient Identifier: Y67CF9Z56L
• Wikipedia Title: Triisopropylamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.9867252
• LogD (pH = 7.4): -0.735954
• Log P: 2.5103185
• Molar Refractivity: 47.4903 cm^3
• Polarizability: 18.883202 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless liquid
• Boiling Point: 47°C (at 1.9 kPa)
• Flash Point: 21 °C; 70 °F
• Odor: Ichtyal, ammoniacal

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 10-22-36/37/38
• Safety Statements: 16-26
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C9H21N