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1878644-61-1 | 5-(1-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine
CAS No: 1878644-61-1 Catalog No: AG01B519 MDL No:MFCD29991874
Product Description
Catalog Number:
AG01B519
Chemical Name:
5-(1-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine
CAS Number:
1878644-61-1
Molecular Formula:
C9H13N3
Molecular Weight:
163.2196
MDL Number:
MFCD29991874
IUPAC Name:
5-(1-methylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine
InChI:
InChI=1S/C9H13N3/c1-12-7-9(6-11-12)8-3-2-4-10-5-8/h3,6-7,10H,2,4-5H2,1H3
InChI Key:
YYUCVXBQPZZYBW-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)C1=CCCNC1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.224g/mol
Monoisotopic Mass:
163.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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