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Home > Pyridines > 1955530-18-3
1955530-18-3 | 5-(1-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine dihydrochloride
CAS No: 1955530-18-3 Catalog No: AG01B54N MDL No:MFCD29991918
Product Description
Catalog Number:
AG01B54N
Chemical Name:
5-(1-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine dihydrochloride
CAS Number:
1955530-18-3
Molecular Formula:
C9H15Cl2N3
Molecular Weight:
236.1415
MDL Number:
MFCD29991918
IUPAC Name:
5-(1-methylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine;dihydrochloride
InChI:
InChI=1S/C9H13N3.2ClH/c1-12-7-9(6-11-12)8-3-2-4-10-5-8;;/h3,6-7,10H,2,4-5H2,1H3;2*1H
InChI Key:
YWTLPVKVZWKQCR-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)C1=CCCNC1.Cl.Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.14g/mol
Monoisotopic Mass:
235.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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