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13159-99-4 | Benzenemethanamine, 4-(dimethylamino)-N-(4-methoxyphenyl)-
CAS No: 13159-99-4 Catalog No: AG000ZGO MDL No:MFCD00086826
Product Description
Catalog Number:
AG000ZGO
Chemical Name:
Benzenemethanamine, 4-(dimethylamino)-N-(4-methoxyphenyl)-
CAS Number:
13159-99-4
Molecular Formula:
C16H20N2O
Molecular Weight:
256.3428
MDL Number:
MFCD00086826
IUPAC Name:
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
InChI:
InChI=1S/C16H20N2O/c1-18(2)15-8-4-13(5-9-15)12-17-14-6-10-16(19-3)11-7-14/h4-11,17H,12H2,1-3H3
InChI Key:
RDKKBVHEHXPZQH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NCc1ccc(cc1)N(C)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.349g/mol
Monoisotopic Mass:
256.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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