2-chloro-5-decylpyrimidine

• ChemBase ID: 295760
• Molecular Formular: C14H23ClN2
• Molecular Mass: 254.79882
• Monoisotopic Mass: 254.15497643
• SMILES: CCCCCCCCCCc1cnc(nc1)Cl
• Canonical SMILES: CCCCCCCCCCc1cnc(nc1)Cl
• InChI: InChI=1S/C14H23ClN2/c1-2-3-4-5-6-7-8-9-10-13-11-16-14(15)17-12-13/h11-12H,2-10H2,1H3
• InChIKey: LJRSECCCAXFYFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-decylpyrimidine
• IUPAC Traditional name: 2-chloro-5-decylpyrimidine
• Synonyms: 2-Chloro-5-n-decylpyrimidine; 2-氯-5-正癸基嘧啶

Database IDs

• CAS Number: 170434-06-7
• MDL Number: MFCD02683077
• PubChem SID: 180681291
• PubChem CID: 22099083

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.472825
• LogD (pH = 7.4): 5.472825
• Log P: 5.472825
• Molar Refractivity: 74.6711 cm^3
• Polarizability: 28.86769 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Hygroscopic
• 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: 99%