6-benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride

• ChemBase ID: 64629
• Molecular Formular: C15H16Cl2N2
• Molecular Mass: 295.20694
• Monoisotopic Mass: 294.06905388
• SMILES: n1c2c(CN(CC2)Cc2ccccc2)ccc1Cl.Cl
• Canonical SMILES: Clc1ccc2c(n1)CCN(C2)Cc1ccccc1.Cl
• InChI: InChI=1S/C15H15ClN2.ClH/c16-15-7-6-13-11-18(9-8-14(13)17-15)10-12-4-2-1-3-5-12;/h1-7H,8-11H2;1H
• InChIKey: SVIOHMAAIIQRBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride
• IUPAC Traditional name: 6-benzyl-2-chloro-7,8-dihydro-5H-1,6-naphthyridine hydrochloride
• Synonyms: 6-N-Benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride

Database IDs

• CAS Number: 1172576-12-3
• MDL Number: MFCD09878675
• PubChem SID: 162030368
• PubChem CID: 44118276

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0696356
• LogD (pH = 7.4): 2.7927537
• Log P: 3.315377
• Molar Refractivity: 75.6543 cm^3
• Polarizability: 29.036493 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%