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Home > Aldehydes > 166438-86-4
166438-86-4 | Benzaldehyde, 4-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-
CAS No: 166438-86-4 Catalog No: AG001WQ3 MDL No:
Product Description
Catalog Number:
AG001WQ3
Chemical Name:
Benzaldehyde, 4-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-
CAS Number:
166438-86-4
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
4-(4-methyl-1,4-diazepan-1-yl)benzaldehyde
InChI:
InChI=1S/C13H18N2O/c1-14-7-2-8-15(10-9-14)13-5-3-12(11-16)4-6-13/h3-6,11H,2,7-10H2,1H3
InChI Key:
MRMHNZCHZCRCAV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1CCCN(CC1)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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