tridecan-2-amine

• ChemBase ID: 10650
• Molecular Formular: C13H29N
• Molecular Mass: 199.37606
• Monoisotopic Mass: 199.22999993
• SMILES: CC(CCCCCCCCCCC)N
• Canonical SMILES: CCCCCCCCCCCC(N)C
• InChI: InChI=1S/C13H29N/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13H,3-12,14H2,1-2H3
• InChIKey: WCLHZVGJULAEJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tridecan-2-amine
• IUPAC Traditional name: tridecan-2-amine
• Synonyms: 2-Aminotridecane

Database IDs

• CAS Number: 13205-57-7
• MDL Number: MFCD00047915
• PubChem SID: 160973957
• PubChem CID: 123297

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6439037
• LogD (pH = 7.4): 1.940205
• Log P: 4.6715646
• Molar Refractivity: 65.0192 cm^3
• Polarizability: 26.27136 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05207073

MP Biomedicals Rare Chemical collection