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1268614-42-1 | 2-[(1-Homopiperidino)methyl]benzaldehyde
CAS No: 1268614-42-1 Catalog No: AG01FBXW MDL No:
Product Description
Catalog Number:
AG01FBXW
Chemical Name:
2-[(1-Homopiperidino)methyl]benzaldehyde
CAS Number:
1268614-42-1
Molecular Formula:
C14H19NO
Molecular Weight:
217.3068
IUPAC Name:
2-(azepan-1-ylmethyl)benzaldehyde
InChI:
InChI=1S/C14H19NO/c16-12-14-8-4-3-7-13(14)11-15-9-5-1-2-6-10-15/h3-4,7-8,12H,1-2,5-6,9-11H2
InChI Key:
KLNNPKPBNDYWFG-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1CN1CCCCCC1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.312g/mol
Monoisotopic Mass:
217.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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