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Home > Pyridines > 1450603-63-0
1450603-63-0 | 3-pyridinylmethylesterN-(8Z)-8-heptadecen-1-yl-carbamicacid
CAS No: 1450603-63-0 Catalog No: AG01EPCO MDL No:
Product Description
Catalog Number:
AG01EPCO
Chemical Name:
3-pyridinylmethylesterN-(8Z)-8-heptadecen-1-yl-carbamicacid
CAS Number:
1450603-63-0
Molecular Formula:
C24H40N2O2
Molecular Weight:
388.5866
IUPAC Name:
pyridin-3-ylmethyl N-[(Z)-heptadec-8-enyl]carbamate
InChI:
InChI=1S/C24H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-24(27)28-22-23-18-17-19-25-21-23/h9-10,17-19,21H,2-8,11-16,20,22H2,1H3,(H,26,27)/b10-9-
InChI Key:
OQYCMOCYWBHSFE-KTKRTIGZSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCNC(=O)OCc1cccnc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
388.309g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.596g/mol
Monoisotopic Mass:
388.309g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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