tridecan-1-amine

• ChemBase ID: 77699
• Molecular Formular: C13H29N
• Molecular Mass: 199.37606
• Monoisotopic Mass: 199.22999993
• SMILES: NCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCN
• InChI: InChI=1S/C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-14H2,1H3
• InChIKey: ABVVEAHYODGCLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tridecan-1-amine
• IUPAC Traditional name: 1-tridecanamine
• Synonyms: Tridecan-1-amine; 1-Aminotridecane; Tridecylamine; n-TRIDECYLAMINE (PRIMARY AMINE); Tridecylamine; 正十三胺; 十三烷胺

Database IDs

• CAS Number: 2869-34-3
• EC Number: 220-694-0
• MDL Number: MFCD00008156
• Beilstein Number: 1739990
• PubChem SID: 24889499; 24900317; 162042570
• PubChem CID: 40761

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6755699
• LogD (pH = 7.4): 2.0953465
• Log P: 4.6995583
• Molar Refractivity: 65.2014 cm^3
• Polarizability: 26.27136 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 30-32 °C(lit.); 30-32°C; 32°C
• Boiling Point: 265 °C(lit.); 265°C
• Flash Point: 110 °C; 230 °F

Safety Information

• Storage Warning: Corrosive
• RTECS: YD3011650
• European Hazard Symbols: Corrosive (C); Nature polluting (N); Irritant (Xi)
• UN Number: 2735; 3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; 3
• Risk Statements: 22-34-50/53; R:36/37/38
• Safety Statements: 26-36/37/39-45-60-61; S:20-25-26-37/39
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314-H400
• GHS Precautionary statements: 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 2735 8/PG 2; UN 3259 8/PG 3

Product Information

• Purity: 98%
• Grade: technical
• Linear Formula: CH3(CH2)12NH2

DETAILS

MP Biomedicals - 05219060

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T58009

Packaging
5, 25 g in glass bottle