Methanol,[(6-amino-1,3,5-triazine-2,4-diyl)diimino]bis-, N-(hydroxymethyl) deriv. (9CI) Trimethylolmelamine Resin 51505-94-3
Identification and Related Records
【Name】
Methanol,[(6-amino-1,3,5-triazine-2,4-diyl)diimino]bis-, N-(hydroxymethyl) deriv. (9CI)
【CAS Registry number】
51505-94-3
【Synonyms】
Trimethylolmelamine Resin
【Molecular Formula】
C6H12 N6 O3 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1S/C11H17IN2O3/c1-14(2,3)10(12)8-17-11(15)9-5-4-6-13(16)7-9/h4-5,7,10H,6,8H2,1-3H3
【Canonical SMILES】
C[N+](C)(C)C(COC(=O)C1=CN(CC=C1)[O-])I
Chemical and Physical Properties
【Computed Properties】
Molecular Weight:352.16875 [g/mol]
Molecular Formula:C11H17IN2O3
XLogP3-AA:1.1
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:5
Exact Mass:352.028385
MonoIsotopic Mass:352.028385
Topological Polar Surface Area:52.6
Heavy Atom Count:17
Formal Charge:0
Complexity:347
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:5.4
Conformer Sampling RMSD:0.6
CID Conformer Count:187
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