Home Other Building Blocks 2,2'-Methylenedianiline

2,2'-Methylenedianiline

CAS No.:
6582-52-1
Catalog Number:
AG0032WJ
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
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Product Description
Catalog Number:
AG0032WJ
Chemical Name:
2,2'-Methylenedianiline
CAS Number:
6582-52-1
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
MDL Number:
MFCD01109641
IUPAC Name:
2-[(2-aminophenyl)methyl]aniline
InChI:
InChI=1S/C13H14N2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9,14-15H2
InChI Key:
OHKOAJUTRVTYSW-UHFFFAOYSA-N
SMILES:
Nc1ccccc1Cc1ccccc1N
EC Number:
229-512-4
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  
Literature
Title Journal
Synthesis, characterization, and solvolysis of mono- and bis-S-(glutathionyl) adducts of methylene-bis-(phenylisocyanate) (MDI). Chemical research in toxicology 20021001
Properties