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1854950-17-6 | 5-[tert-butyl(methyl)amino]-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CAS No: 1854950-17-6 Catalog No: AG01C8HD MDL No:MFCD31443113
Product Description
Catalog Number:
AG01C8HD
Chemical Name:
5-[tert-butyl(methyl)amino]-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1854950-17-6
Molecular Formula:
C11H19N3O
Molecular Weight:
209.2881
MDL Number:
MFCD31443113
IUPAC Name:
5-[tert-butyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H19N3O/c1-8-9(7-15)10(14(6)12-8)13(5)11(2,3)4/h7H,1-6H3
InChI Key:
YHNDKJXPTKMCKU-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1N(C(C)(C)C)C)C
Properties
Complexity:
237
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:
3
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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