decan-1-amine

• ChemBase ID: 108316
• Molecular Formular: C10H23N
• Molecular Mass: 157.29632
• Monoisotopic Mass: 157.18304974
• SMILES: CCCCCCCCCCN
• Canonical SMILES: CCCCCCCCCCN
• InChI: InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3
• InChIKey: MHZGKXUYDGKKIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decan-1-amine
• IUPAC Traditional name: N-decylamine
• Synonyms: NDA; 1-Aminodecane; Decylamine; decan-1-amine; n-DECYLAMINE; 1-氨基癸烷; 癸胺

Database IDs

• CAS Number: 2016-57-1
• EC Number: 217-957-7
• MDL Number: MFCD00008149
• Beilstein Number: 1735220
• PubChem SID: 24858500; 24858545; 162095626; 24867897; 24893684
• PubChem CID: 8916

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.3418639
• LogD (pH = 7.4): 0.7616404
• Log P: 3.365852
• Molar Refractivity: 51.3984 cm^3
• Polarizability: 20.73024 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 12-14 °C(lit.); 12-14°C
• Boiling Point: 216-218 °C(lit.); 216-218°C
• Flash Point: 192.2 °F; 89 °C
• Density: 0.787 g/ml; 0.787 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.436; n20/D 1.436(lit.)
• Hydrophobicity(logP): 4.097

Safety Information

• RTECS: HD6475000
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-24-34; R:22-27-34
• Safety Statements: 26-36/37/39-45; S:27/28-29-36/37/39-45
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H311-H314-H400
• GHS Precautionary statements: P273-P280-P301 + P310-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 2922 8/PG 3

Product Information

• Purity: ≥98.0% (GC); 95%; 95+%
• Grade: analytical standard; purum
• Packaging: ampule of 1000 mg
• Impurities: ≤0.2% water
• Linear Formula: CH3(CH2)9NH2

DETAILS

MP Biomedicals - 05206900

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D2404

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 30692

Packaging
5, 25 mL in glass bottle