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99860-36-3 | 6-(CHLOROMETHYL)-N-(4-METHYLPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE
CAS No: 99860-36-3 Catalog No: AG004X79 MDL No:MFCD03941302
Product Description
Catalog Number:
AG004X79
Chemical Name:
6-(CHLOROMETHYL)-N-(4-METHYLPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE
CAS Number:
99860-36-3
Molecular Formula:
C11H12ClN5
Molecular Weight:
249.6995
MDL Number:
MFCD03941302
IUPAC Name:
6-(chloromethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C11H12ClN5/c1-7-2-4-8(5-3-7)14-11-16-9(6-12)15-10(13)17-11/h2-5H,6H2,1H3,(H3,13,14,15,16,17)
InChI Key:
NDCXQFXHUZSBIB-UHFFFAOYSA-N
SMILES:
ClCc1nc(Nc2ccc(cc2)C)nc(n1)N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.702g/mol
Monoisotopic Mass:
249.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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