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2687-25-4 | 3-Methylbenzene-1,2-diamine
CAS No: 2687-25-4 Catalog No: AG003B3R MDL No:MFCD00011589
Product Description
Catalog Number:
AG003B3R
Chemical Name:
3-Methylbenzene-1,2-diamine
CAS Number:
2687-25-4
Molecular Formula:
C7H10N2
Molecular Weight:
122.1677
MDL Number:
MFCD00011589
IUPAC Name:
3-methylbenzene-1,2-diamine
InChI:
InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3
InChI Key:
AXNUJYHFQHQZBE-UHFFFAOYSA-N
SMILES:
Nc1c(C)cccc1N
EC Number:
220-248-5
UNII:
SR8WC7LLQ2
Properties
Complexity:
92.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
122.171g/mol
Monoisotopic Mass:
122.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
| Pd(II) and Pt(II) complexes with aromatic diamines: study of their interaction with DNA. | Journal of inorganic biochemistry 20040301 |
| Interaction with the aromatic hydrocarbon receptor, CYP1A induction, and mutagenicity of a series of diaminotoluenes: implications for their carcinogenicity. | Toxicology and applied pharmacology 19960701 |
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