6-undecyl-1,3,5-triazine-2,4-diamine

• ChemBase ID: 111800
• Molecular Formular: C14H27N5
• Molecular Mass: 265.39768
• Monoisotopic Mass: 265.22664589
• SMILES: CCCCCCCCCCCc1nc(N)nc(N)n1
• Canonical SMILES: CCCCCCCCCCCc1nc(N)nc(n1)N
• InChI: InChI=1S/C14H27N5/c1-2-3-4-5-6-7-8-9-10-11-12-17-13(15)19-14(16)18-12/h2-11H2,1H3,(H4,15,16,17,18,19)
• InChIKey: MLCIKWISJBFZKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-undecyl-1,3,5-triazine-2,4-diamine
• IUPAC Traditional name: 6-undecyl-1,3,5-triazine-2,4-diamine
• Synonyms: LAUROGUANAMINE; 2,4-Diamino-6-undecyl-1,3,5-triazine; 2,4-二氨基-6-十一烷基-s-三嗪

Database IDs

• CAS Number: 2533-34-8
• EC Number: 219-795-2
• MDL Number: MFCD00213901
• PubChem SID: 162096787
• PubChem CID: 75673

CALCULATED PROPERTIES

• Acid pKa: 15.7950945
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.0664933
• LogD (pH = 7.4): 4.3003545
• Log P: 4.4325833
• Molar Refractivity: 82.4747 cm^3
• Polarizability: 30.102581 Å^3
• Polar Surface Area: 90.71 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119-121°C

Safety Information

• RTECS: XY7070000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05221081

MP Biomedicals Rare Chemical collection