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19471-12-6,MFCD00014777
Catalog No.:AA003I9V
19471-12-6 | 3,3'-Diaminodiphenylmethane
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1g
>98.0%(GC)(T)
1 week  
$103.00   $72.00
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5g
>98.0%(GC)(T)
1 week  
$333.00   $233.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003I9V
Chemical Name:
3,3'-Diaminodiphenylmethane
CAS Number:
19471-12-6
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
MDL Number:
MFCD00014777
IUPAC Name:
3-[(3-aminophenyl)methyl]aniline
InChI:
InChI=1S/C13H14N2/c14-12-5-1-3-10(8-12)7-11-4-2-6-13(15)9-11/h1-6,8-9H,7,14-15H2
InChI Key:
CKOFBUUFHALZGK-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Cc1cccc(c1)N
Properties
Computed Properties
 
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.116g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
198.269g/mol
Monoisotopic Mass:
198.116g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
3,3'-Methylenedianiline 
3,3'-Diaminodiphenylmethane 
AC1L3TAZ 
3,3'-Methylenebisaniline 
SCHEMBL49433 
AC1Q527V 
CHEMBL594420 
3,3'-Methylenedianiline, 97% 
3-(3-Aminobenzyl)phenylamine # 
CTK7D8907 
DTXSID30173110 
3,3-DIAMINODIPHENYLMETHANE 
19471-12-6 
ZINC155330 
ACT07436 
0079AB 
ANW-43090 
MFCD00014777 
SBB092337 
AKOS004910481 
MCULE-5785709599 
TRA0002947 
ACM19471126 
3-[(3-aminophenyl)methyl]aniline 
KS-0000176I 
AJ-13545 
ZB006022 
4,4'-DIAMINODIPHENYLMETHANE, PRACT 
AX8014696 
TR-009057 
D1683 
FT-0614040 
ST50408037 
A813743 
3-(3-Aminobenzyl)phenylamine 
C-09239 
I01-9794 
C13H14N2 
CID146486 
ZINC00155330 
C13-H14-N2 
101-77-9 
Benzenamine, 3,3'-methylenebis- 
3,3'-methylene dianiline 
CKOFBUUFHALZGK-UHFFFAOYSA-N 
AR-299/42656413 
3-[(3-aminophenyl)methyl]phenylamine 
Literature

Title: Elimination kinetics of diisocyanates after specific inhalative challenges in humans: mass spectrometry analysis, as a basis for biomonitoring strategies.

Journal: Journal of occupational medicine and toxicology (London, England) 20110101

Title: Identification and characterization of novel sirtuin inhibitor scaffolds.

Journal: Bioorganic & medicinal chemistry 20091001

Title: Analysis of markers of exposure to polymeric methylene-diphenyl diisocyanate (pMDI) in rats: a comparison of dermal and inhalation routes of exposure.

Journal: Experimental and toxicologic pathology : official journal of the Gesellschaft fur Toxikologische Pathologie 20020801

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