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Home > Aldehydes > 884507-48-6
884507-48-6 | Benzaldehyde,4-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]-
CAS No: 884507-48-6 Catalog No: AG004EI6 MDL No:
Product Description
Catalog Number:
AG004EI6
Chemical Name:
Benzaldehyde,4-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]-
CAS Number:
884507-48-6
Molecular Formula:
C14H20N2O
Molecular Weight:
232.3214
IUPAC Name:
4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzaldehyde
InChI:
InChI=1S/C14H20N2O/c1-15-7-2-8-16(10-9-15)11-13-3-5-14(12-17)6-4-13/h3-6,12H,2,7-11H2,1H3
InChI Key:
WFLDZQQKNFWMAY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)CN1CCCN(CC1)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.327g/mol
Monoisotopic Mass:
232.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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