pentadecan-1-amine

• ChemBase ID: 110838
• Molecular Formular: C15H33N
• Molecular Mass: 227.42922
• Monoisotopic Mass: 227.26130006
• SMILES: CCCCCCCCCCCCCCCN
• Canonical SMILES: CCCCCCCCCCCCCCCN
• InChI: InChI=1S/C15H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-16H2,1H3
• InChIKey: JPZYXGPCHFZBHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentadecan-1-amine
• IUPAC Systematic name: 1-Pentadecanamine
• IUPAC Traditional name: pentadecylamine
• Synonyms: 1-Aminopentadecane; n-Pentadecylamine; Pentadecylamine; Pentadecylamine; n-PENTADECYLAMINE; 1-氨基十五烷; 正十五胺

Database IDs

• CAS Number: 2570-26-5
• EC Number: 219-912-7
• MDL Number: MFCD00038195
• Beilstein Number: 1744557
• PubChem SID: 162096963; 24898479
• PubChem CID: 17386
• Chemspider ID: 16450
• Wikipedia Title: Pentadecylamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5647073
• LogD (pH = 7.4): 2.9844837
• Log P: 5.5886955
• Molar Refractivity: 74.4034 cm^3
• Polarizability: 29.96544 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 35-37 °C(lit.)
• Boiling Point: 299-301 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Vapor Pressure: 1 mmHg ( 120.5 °C)

Safety Information

• RTECS: RZ2120000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2923
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 20/22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314-H331-H400
• GHS Precautionary statements: P261-P273-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2923 8/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ~97% (capillary GC); 96%
• Linear Formula: CH3(CH2)14NH2

DETAILS

Sigma Aldrich - P4003

Packaging
10 g in glass bottle