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116895-09-1 | 2,4-Pyrimidinediamine, 6-chloro-N4,N4-diethyl-
CAS No: 116895-09-1 Catalog No: AG000DCV MDL No:MFCD00664696
Product Description
Catalog Number:
AG000DCV
Chemical Name:
2,4-Pyrimidinediamine, 6-chloro-N4,N4-diethyl-
CAS Number:
116895-09-1
Molecular Formula:
C8H13ClN4
Molecular Weight:
200.6686
MDL Number:
MFCD00664696
IUPAC Name:
6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine
InChI:
InChI=1S/C8H13ClN4/c1-3-13(4-2)7-5-6(9)11-8(10)12-7/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChI Key:
JZPXSIGRVGTURL-UHFFFAOYSA-N
SMILES:
CCN(c1cc(Cl)nc(n1)N)CC
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.083g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.67g/mol
Monoisotopic Mass:
200.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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