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1807-55-2 | Benzenamine, 4,4'-methylenebis[N-methyl-
CAS No: 1807-55-2 Catalog No: AG00229F MDL No:
Product Description
Catalog Number:
AG00229F
Chemical Name:
Benzenamine, 4,4'-methylenebis[N-methyl-
CAS Number:
1807-55-2
Molecular Formula:
C15H18N2
Molecular Weight:
226.3168
IUPAC Name:
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
InChI:
InChI=1S/C15H18N2/c1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13/h3-10,16-17H,11H2,1-2H3
InChI Key:
ZMVMYBGDGJLCHV-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1)Cc1ccc(cc1)NC
EC Number:
217-309-3
UNII:
7AUF08SV1M
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.323g/mol
Monoisotopic Mass:
226.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Nucleophilicity parameters for amines, amino acids and peptides in water. Variations in selectivities for quinone methides. | Organic & biomolecular chemistry 20111007 |
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