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Home > Aldehydes > 181936-87-8
181936-87-8 | 3-Pyridinecarboxaldehyde, 6-[(1-methylethyl)amino]-
CAS No: 181936-87-8 Catalog No: AG00238B MDL No:
Product Description
Catalog Number:
AG00238B
Chemical Name:
3-Pyridinecarboxaldehyde, 6-[(1-methylethyl)amino]-
CAS Number:
181936-87-8
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
IUPAC Name:
6-(propan-2-ylamino)pyridine-3-carbaldehyde
InChI:
InChI=1S/C9H12N2O/c1-7(2)11-9-4-3-8(6-12)5-10-9/h3-7H,1-2H3,(H,10,11)
InChI Key:
JYXVPTSSCSXWTP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(nc1)NC(C)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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