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Home > Aldehydes > 894207-03-5
894207-03-5 | 2,4-DIMETHYL-5-[(4-METHYL-1-PIPERIDINYL)METHYL]BENZALDEHYDE
CAS No: 894207-03-5 Catalog No: AG004630 MDL No:MFCD07156278
Product Description
Catalog Number:
AG004630
Chemical Name:
2,4-DIMETHYL-5-[(4-METHYL-1-PIPERIDINYL)METHYL]BENZALDEHYDE
CAS Number:
894207-03-5
Molecular Formula:
C16H23NO
Molecular Weight:
245.3599
MDL Number:
MFCD07156278
IUPAC Name:
2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]benzaldehyde
InChI:
InChI=1S/C16H23NO/c1-12-4-6-17(7-5-12)10-15-9-16(11-18)14(3)8-13(15)2/h8-9,11-12H,4-7,10H2,1-3H3
InChI Key:
TYJDZQJYPSMFSQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(CN2CCC(CC2)C)c(cc1C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.366g/mol
Monoisotopic Mass:
245.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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