ChEBI
  Marvin  01040611432D          

 15 16  0  0  0  0            999 V2000
    9.0383  -10.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7528  -10.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7528   -9.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4673  -10.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4673   -8.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1818  -10.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1818   -9.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3238  -10.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6094  -10.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3238   -9.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8948  -10.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6093   -8.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8948   -9.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1804   -8.9614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8962   -8.9614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  7  6  1  0  0  0  0
  1  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  2  0  0  0  0
 13 12  1  0  0  0  0
  1  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15  7  1  0  0  0  0
M  END
> <ID>
CHEBI:32506

> <NAME>
4,4'-diaminodiphenylmethane

> <DEFINITION>
An aromatic amine that is diphenylmethane substituted at the 4-position of each benzene ring by an amino group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:234513

> <SYNONYM>
p,p'-Methylenedianiline; p,p'-Diaminodiphenylmethane; Dianilinomethane; di-(p-aminophenyl)methane; di-(4-aminophenyl)methane; DDM; DAPM; DADPM; bis-p-aminophenylmethane; Bis(p-aminophenyl)methane; Bis(4-aminophenyl)methane; alpha-(p-aminophenyl)-p-toluidine; 4-(4-aminobenzyl)aniline; 4,4'-methylenedianiline; 4,4'-Methylenebis(benzeneamine); 4,4'-Diphenylmethanediamine; 4,4'-Diaminodiphenylmethane; 4,4'-Diaminodiphenylmethane

> <IUPAC_NAME>
4,4'-methylenedianiline

> <FORMULA>
C13H14N2

> <MASS>
198.26374

> <MONOISOTOPIC_MASS>
198.11570

> <CHARGE>
0

> <SMILES>
Nc1ccc(Cc2ccc(N)cc2)cc1

> <INCHI>
InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2

> <INCHIKEY>
YBRVSVVVWCFQMG-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
474706

> <CAS_REGISTRY_NUMBER>
101-77-9

> <REAXYS_REGISTRY_NUMBER>
474706

> <CHEMIDPLUS>
101-77-9

> <KEGG_COMPOUND_ACCESSION>
C14288

> <NIST_CHEMISTRY_WEBBOOK>
101-77-9

> <WIKIPEDIA_ACCESSION>
4,4'-Methylenedianiline

> <PUBMED_CITATION>
17061110; 18844695; 22393703; 2607764; 9022650; 17482318; 7265110

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