undecan-1-amine

• ChemBase ID: 111539
• Molecular Formular: C11H25N
• Molecular Mass: 171.3229
• Monoisotopic Mass: 171.19869981
• SMILES: CCCCCCCCCCCN
• Canonical SMILES: CCCCCCCCCCCN
• InChI: InChI=1S/C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-12H2,1H3
• InChIKey: QFKMMXYLAPZKIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecan-1-amine
• IUPAC Traditional name: N-undecylamin
• Synonyms: n-UNDECYLAMINE; 1-Amino-undecane; Undecylamine; 1-氨基十一烷; 十一胺

Database IDs

• CAS Number: 7307-55-3
• EC Number: 230-761-6
• MDL Number: MFCD00008152
• Beilstein Number: 1736378
• PubChem SID: 24889778; 162089689
• PubChem CID: 81742

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.78643256
• LogD (pH = 7.4): 1.2062091
• Log P: 3.8104208
• Molar Refractivity: 55.9994 cm^3
• Polarizability: 22.57728 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 15-17 °C(lit.)
• Boiling Point: 106-107 °C/8 mmHg(lit.); 240 °C(lit.)
• Flash Point: 197.6 °F; 92 °C
• Density: 0.796 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.439; n20/D 1.439(lit.)

Safety Information

• RTECS: YQ1518000
• European Hazard Symbols: Corrosive (C); Nature polluting (N)
• German water hazard class: 3
• Risk Statements: 22-34-50/53
• Safety Statements: 26-36/37/39-45-60-61
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314-H410
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P310-P501
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC); 98%
• Linear Formula: CH3(CH2)10NH2

DETAILS

MP Biomedicals - 05219783

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 94200

Packaging
10 mL in glass bottle