(2H29)tetradecan-1-amine

• ChemBase ID: 134720
• Molecular Formular: C14H31N
• Molecular Mass: 213.40264
• Monoisotopic Mass: 213.24565
• SMILES: CCCCCCCCCCCCCCN
• Canonical SMILES: CCCCCCCCCCCCCCN
• InChI: InChI=1S/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3
• InChIKey: PLZVEHJLHYMBBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₂₉)tetradecan-1-amine
• IUPAC Traditional name: (^2H₂₉)tetradecan-1-amine
• Synonyms: 1-Amin(tetradecane-d29); Tetradecyl-d29-amine; 肉豆蔻胺-d29; 十四胺-d29

Database IDs

• CAS Number: 204244-82-6
• MDL Number: MFCD00145011
• PubChem SID: 162228996
• PubChem CID: 71308881

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1201386
• LogD (pH = 7.4): 2.539915
• Log P: 5.144127
• Molar Refractivity: 69.8024 cm^3
• Polarizability: 28.1184 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 38-40 °C(lit.)
• Boiling Point: 162 °C/15 mmHg
• Flash Point: 110 °C; 230 °F
• Mass Shift: M+29

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 242.00 by atom % calculation
• Linear Formula: CD3(CD2)12CD2NH2

DETAILS

Sigma Aldrich - 589926

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.