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2-DICHLOROMETHYL-4,6-BIS(ETHYLAMINO)-S-TRIAZINE,30355-66-9, 6-(dichlor

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摘 要:2-DICHLOROMETHYL-4,6-BIS(ETHYLAMINO)-S-TRIAZINE,30355-66-9, 6-(dichloromethyl)-N,N'-diethyl-1,3,5-triazine-2,4-diamine,Canonical SMILES: CCNC1=NC(=NC(=N1)C(Cl)Cl)NCC,InChI: InChI=1/C8H13Cl2N5/c1-3-11-7-13-6(5(9)10)14-8(15-7)12-4-2/h5H,3-4H2,,1-2H3,(H
[Synonyms]
2-DICHLOROMETHYL-4,6-BIS(ETHYLAMINO)-S-TRIAZINE
30355-66-9

[Structure]
2-DICHLOROMETHYL-4,6-BIS(ETHYLAMINO)-S-TRIAZINE,30355-66-9, 6-(dichlor

[ Properties Computed from Structure]
Molecular Weight250.12832 [g/mol]
Molecular FormulaC8H13Cl2N5
XLogP1.5
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count5
Tautomer Count5
Exact Mass249.054801
MonoIsotopic Mass249.054801
Topological Polar Surface Area62.7
Heavy Atom Count15
Formal Charge0
Complexity166
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,N'-diethyl-1,3,5-triazine-2,4-diamine
Canonical SMILES: CCNC1=NC(=NC(=N1)C(Cl)Cl)NCC
InChI: InChI=1/C8H13Cl2N5/c1-3-11-7-13-6(5(9)10)14-8(15-7)12-4-2/h5H,3-4H2,
1-2H3,(H2,11,12,13,14,15)/f/h11-12H

 
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