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Home > Pyridines > 1427379-41-6
1427379-41-6 | 4-(3,4-dimethoxyphenyl)-1,2,3,6-tetrahydropyridine hydrochloride
CAS No: 1427379-41-6 Catalog No: AG01A44L MDL No:MFCD23144231
Product Description
Catalog Number:
AG01A44L
Chemical Name:
4-(3,4-dimethoxyphenyl)-1,2,3,6-tetrahydropyridine hydrochloride
CAS Number:
1427379-41-6
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
MDL Number:
MFCD23144231
IUPAC Name:
4-(3,4-dimethoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
InChI:
InChI=1S/C13H17NO2.ClH/c1-15-12-4-3-11(9-13(12)16-2)10-5-7-14-8-6-10;/h3-5,9,14H,6-8H2,1-2H3;1H
InChI Key:
VCGRXPMMMNLEKJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C1=CCNCC1.Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.742g/mol
Monoisotopic Mass:
255.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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