(pentan-3-yl)bis(propan-2-yl)amine

• ChemBase ID: 139243
• Molecular Formular: C11H25N
• Molecular Mass: 171.3229
• Monoisotopic Mass: 171.19869981
• SMILES: CCC(CC)N(C(C)C)C(C)C
• Canonical SMILES: CCC(N(C(C)C)C(C)C)CC
• InChI: InChI=1S/C11H25N/c1-7-11(8-2)12(9(3)4)10(5)6/h9-11H,7-8H2,1-6H3
• InChIKey: BDKMTSFYPWEJRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pentan-3-yl)bis(propan-2-yl)amine
• IUPAC Traditional name: diisopropyl(pentan-3-yl)amine
• Synonyms: N,N-Bis(1-methylethyl)-3-pentanamine; 1-Ethyl-N,N-diisopropylpropylamine; N,N-Diisopropylpentan-3-amine; N,N-Diisopropyl-3-pentylamine; N,N-Diisopropyl-3-pentylamine; N,N-二异丙基-3-戊胺

Database IDs

• CAS Number: 68714-10-3
• EC Number: 272-102-5
• MDL Number: MFCD00042893
• Beilstein Number: 1736306
• PubChem SID: 24863992; 162233491
• PubChem CID: 4255656

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.055579893
• LogD (pH = 7.4): 0.16624108
• Log P: 3.5553632
• Molar Refractivity: 56.5383 cm^3
• Polarizability: 22.57728 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 71-73 °C/12 mmHg(lit.)
• Flash Point: 120.2 °F; 49 °C
• Density: 0.791 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.433

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-34
• Safety Statements: 26-36/37/39-45
• 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 2733 3/PG 3

Product Information

• Purity: ≥99.0%
• Linear Formula: [(CH3)2CH]2NCH(CH2CH3)2

DETAILS

Sigma Aldrich - 38438

Other Notes
Extremely hindered tertiary amine1

Toronto Research Chemicals - D459350

Extremely hindered tertiary amine.

REFERENCES

• Burdick, J., et al.: Biomaterials, 22, 1779 (2001)
• Liu, V., et al.: Biomed. Microdev., 4, 257 (2001)