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2-AMINO-4-CHLOROMETHYL-6-ETHYLAMINO-S-TRIAZINE,30355-59-0, 6-(chlorome

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摘 要:2-AMINO-4-CHLOROMETHYL-6-ETHYLAMINO-S-TRIAZINE,30355-59-0, 6-(chloromethyl)-N-ethyl-1,3,5-triazine-2,4-diamine,Canonical SMILES: CCNC1=NC(=NC(=N1)N)CCl,InChI: InChI=1/C6H10ClN5/c1-2-9-6-11-4(3-7)10-5(8)12-6/h2-3H2,1H3,(H3,8,9,10,,11,12)/f/h9H,8H2,Mol
[Synonyms]
2-AMINO-4-CHLOROMETHYL-6-ETHYLAMINO-S-TRIAZINE
30355-59-0

[Structure]
2-AMINO-4-CHLOROMETHYL-6-ETHYLAMINO-S-TRIAZINE,30355-59-0, 6-(chlorome

[ Properties Computed from Structure]
Molecular Weight187.6301 [g/mol]
Molecular FormulaC6H10ClN5
XLogP0.2
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count3
Tautomer Count9
Exact Mass187.062473
MonoIsotopic Mass187.062473
Topological Polar Surface Area76.7
Heavy Atom Count12
Formal Charge0
Complexity133
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-(chloromethyl)-N-ethyl-1,3,5-triazine-2,4-diamine
Canonical SMILES: CCNC1=NC(=NC(=N1)N)CCl
InChI: InChI=1/C6H10ClN5/c1-2-9-6-11-4(3-7)10-5(8)12-6/h2-3H2,1H3,(H3,8,9,10,
11,12)/f/h9H,8H2

 
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