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Home > Aldehydes > 1306604-57-8
1306604-57-8 | 5-(dimethylamino)-3-methyl-1-(2-methylpropyl)-1H-pyrazole-4-carbaldehyde
CAS No: 1306604-57-8 Catalog No: AG01A8ZK MDL No:MFCD18838653
Product Description
Catalog Number:
AG01A8ZK
Chemical Name:
5-(dimethylamino)-3-methyl-1-(2-methylpropyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1306604-57-8
Molecular Formula:
C11H19N3O
Molecular Weight:
209.2881
MDL Number:
MFCD18838653
IUPAC Name:
5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H19N3O/c1-8(2)6-14-11(13(4)5)10(7-15)9(3)12-14/h7-8H,6H2,1-5H3
InChI Key:
BJBSYMVIKBENOL-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1N(C)C)CC(C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.153g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.293g/mol
Monoisotopic Mass:
209.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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