Home Pyridines 100224-58-6
100224-58-6,MFCD23144265
Catalog No.:AA00018A
100224-58-6 | Pyridine, 1,2,3,6-tetrahydro-4-(3-methylphenyl)-, hydrochloride (1:1)
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
3 weeks  
$310.00
- +
250mg
95.0%
3 weeks  
$430.00
- +
500mg
95.0%
3 weeks  
$778.00
- +
1g
95.0%
3 weeks  
$1,028.00
- +
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Technical Information
Catalog Number:
AA00018A
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
Computed 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

Synonyms
 
100224-58-6 
4-(3-methylphenyl)-1,2,3,6-tetrahydropyridine hydrochloride 
NE29285 
1,2,3,6-tetrahydro-4-(3-methylphenyl)pyridine hydrochloride 
4-(3-Methylphenyl)-1,2,3,6-tetrahydropyridine--hydrogen chloride (1/1) 
Pyridine, 1,2,3,6-tetrahydro-4-(3-methylphenyl)-, hydrochloride (1:1) 
4-(3-methylphenyl)-1,2,3,6-tetrahydropyridine,hydrochloride 
Pyridine, 1,2,3,6-tetrahydro-4-(3-methylphenyl)-, hydrochloride 
ACMC-20m3ae 
SCHEMBL9311920 
CTK0E0288 
DTXSID30598021 
GRAQZHHTWYIHAH-UHFFFAOYSA-N 
AKOS026743338 
MCULE-5385146409 
Literature
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