dodecan-1-(15N)amine

• ChemBase ID: 134571
• Molecular Formular: C12H27N
• Molecular Mass: 186.3428889
• Monoisotopic Mass: 186.21138476
• SMILES: CCCCCCCCCCCC[15NH2]
• Canonical SMILES: CCCCCCCCCCCC[15NH2]
• InChI: InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3/i13+1
• InChIKey: JRBPAEWTRLWTQC-KCKQSJSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecan-1-(^1^5N)amine
• IUPAC Traditional name: dodecan-1-(^1^5N)amine
• Synonyms: Laurylamine-15N; Dodecylamine-15N; 月桂胺-15N; 十二胺-15N

Database IDs

• CAS Number: 204451-52-5
• MDL Number: MFCD00144217
• PubChem SID: 162228847; 24881104
• PubChem CID: 16217357

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2310013
• LogD (pH = 7.4): 1.6507778
• Log P: 4.2549896
• Molar Refractivity: 60.6004 cm^3
• Polarizability: 24.42432 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 27-29 °C(lit.)
• Boiling Point: 247-249 °C
• Flash Point: 115 °C; 239 °F
• Density: 0.810 g/mL
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-36/37/38-50
• Safety Statements: 26-36/37/39-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335-H400
• GHS Precautionary statements: P261-P273-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3259 8/PG 3

Product Information

• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 186.36 by atom % calculation
• Linear Formula: CH3(CH2)1115NH2

DETAILS

Sigma Aldrich - 586072

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.