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1306603-81-5 | 4-(1-methyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CAS No: 1306603-81-5 Catalog No: AG01AIG2 MDL No:MFCD18839065
Product Description
Catalog Number:
AG01AIG2
Chemical Name:
4-(1-methyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CAS Number:
1306603-81-5
Molecular Formula:
C13H15N3
Molecular Weight:
213.2783
MDL Number:
MFCD18839065
IUPAC Name:
4-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C13H15N3/c1-16-9-10(8-15-16)11-6-7-14-13-5-3-2-4-12(11)13/h2-5,8-9,11,14H,6-7H2,1H3
InChI Key:
RVOVQFCLTLINBR-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)C1CCNc2c1cccc2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.284g/mol
Monoisotopic Mass:
213.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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