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13174-24-8 | Benzenemethanamine, 3,4-dimethoxy-N-(phenylmethyl)-
CAS No: 13174-24-8 Catalog No: AG000ZNS MDL No:MFCD01049058
Product Description
Catalog Number:
AG000ZNS
Chemical Name:
Benzenemethanamine, 3,4-dimethoxy-N-(phenylmethyl)-
CAS Number:
13174-24-8
Molecular Formula:
C16H19NO2
Molecular Weight:
257.3276
MDL Number:
MFCD01049058
IUPAC Name:
N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine
InChI:
InChI=1S/C16H19NO2/c1-18-15-9-8-14(10-16(15)19-2)12-17-11-13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3
InChI Key:
JUVDVCSGIUHGPB-UHFFFAOYSA-N
SMILES:
COc1cc(CNCc2ccccc2)ccc1OC
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.333g/mol
Monoisotopic Mass:
257.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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