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Home > Pyridines > 100224-58-6
100224-58-6 | Pyridine, 1,2,3,6-tetrahydro-4-(3-methylphenyl)-, hydrochloride (1:1)
CAS No: 100224-58-6 Catalog No: AG0001B2 MDL No:MFCD23144265
Product Description
Catalog Number:
AG0001B2
Chemical Name:
Pyridine, 1,2,3,6-tetrahydro-4-(3-methylphenyl)-, hydrochloride (1:1)
CAS Number:
100224-58-6
Molecular Formula:
C12H16ClN
Molecular Weight:
209.7151
MDL Number:
MFCD23144265
IUPAC Name:
4-(3-methylphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
InChI:
InChI=1S/C12H15N.ClH/c1-10-3-2-4-12(9-10)11-5-7-13-8-6-11;/h2-5,9,13H,6-8H2,1H3;1H
InChI Key:
GRAQZHHTWYIHAH-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C1=CCNCC1.Cl
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.097g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.717g/mol
Monoisotopic Mass:
209.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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