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2-AMINO-4-DICHLOROMETHYL-6-ETHYLAMINO-S-TRIAZINE,30355-64-7, 6-(dichlo

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摘 要:2-AMINO-4-DICHLOROMETHYL-6-ETHYLAMINO-S-TRIAZINE,30355-64-7, 6-(dichloromethyl)-N-ethyl-1,3,5-triazine-2,4-diamine,Canonical SMILES: CCNC1=NC(=NC(=N1)N)C(Cl)Cl,InChI: InChI=1/C6H9Cl2N5/c1-2-10-6-12-4(3(7)8)11-5(9)13-6/h3H,2H2,1H3,(H3,9,10,,11,12,13)/
[Synonyms]
2-AMINO-4-DICHLOROMETHYL-6-ETHYLAMINO-S-TRIAZINE
30355-64-7

[Structure]
2-AMINO-4-DICHLOROMETHYL-6-ETHYLAMINO-S-TRIAZINE,30355-64-7, 6-(dichlo

[ Properties Computed from Structure]
Molecular Weight222.07516 [g/mol]
Molecular FormulaC6H9Cl2N5
XLogP0.6
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count3
Tautomer Count9
Exact Mass221.023501
MonoIsotopic Mass221.023501
Topological Polar Surface Area76.7
Heavy Atom Count13
Formal Charge0
Complexity156
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 6-(dichloromethyl)-N-ethyl-1,3,5-triazine-2,4-diamine
Canonical SMILES: CCNC1=NC(=NC(=N1)N)C(Cl)Cl
InChI: InChI=1/C6H9Cl2N5/c1-2-10-6-12-4(3(7)8)11-5(9)13-6/h3H,2H2,1H3,(H3,9,10,
11,12,13)/f/h10H,9H2

 
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