dipentylamine

• ChemBase ID: 74503
• Molecular Formular: C10H23N
• Molecular Mass: 157.29632
• Monoisotopic Mass: 157.18304974
• SMILES: N(CCCCC)CCCCC
• Canonical SMILES: CCCCCNCCCCC
• InChI: InChI=1S/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3
• InChIKey: JACMPVXHEARCBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dipentylamine
• IUPAC Traditional name: dipentylamine
• Synonyms: Dipentylamine, mixture of isomers; dipentylamine; Di-n-amylamine; 二戊胺，异构体混合物

Database IDs

• CAS Number: 2050-92-2
• EC Number: 218-108-3
• MDL Number: MFCD00009499
• Beilstein Number: 906746
• PubChem SID: 162039422; 24860563
• PubChem CID: 16316

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.10627958
• LogD (pH = 7.4): 0.35238948
• Log P: 3.3440568
• Molar Refractivity: 51.6426 cm^3
• Polarizability: 20.73024 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 202-203 °C(lit.)
• Flash Point: 156.2 °F; 69 °C
• Density: 0.767 g/mL at 25 °C
• Refractive Index: n20/D 1.4258(lit.)
• Vapor Pressure: 0.3 mmHg ( 20 °C)
• Vapor Density: 5.42 (vs air)

Safety Information

• European Hazard Symbols: Corrosive (C); Nature polluting (N); Toxic (T)
• UN Number: 2735
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 23/24/25-34-50/53
• Safety Statements: 26-36/37/39-45-60-61
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H311 + H331-H314-H400
• GHS Precautionary statements: P261-P273-P280-P301 + P310-P305 + P351 + P338-P310
• RID/ADR: UN 2735 8/PG 3

Product Information

• Purity: 99%
• Linear Formula: [CH3(CH2)4]2NH

DETAILS

Sigma Aldrich - 338699

Packaging
250 mL in glass bottle