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N,N,N',N'-Tetrakis(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine

HCID 78336
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Basic information

CAS
4588-69-6
Standard SMILES
COCN(COC)c1nc(-c2ccccc2)nc(N(COC)COC)n1
InChIKey
YURHRQDCAMOWFM-UHFFFAOYSA-N
Molecular formula
C17H25N5O4
Average molar mass
363.4 g/mol
Monoisotopic mass
363.1906543

Names & identifiers

Preferred name
N,N,N',N'-Tetrakis(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
IUPAC
2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
English name
N,N,N',N'-tetrakis(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
Molecular formula
C17H25N5O4
Molecular weight
363.41

Names & synonyms

4588-69-6N,N,N',N'-Tetrakis(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamineEINECS 224-973-8Cymel 123Nikalac BX 4500U5FY2VJJ2DSCHEMBL469073DTXSID20196636YURHRQDCAMOWFM-UHFFFAOYSA-NN2,N2,N4,N4-TETRAKIS(METHOXYMETHYL)-6-PHENYL-1,3,5-TRIAZINE-2,4-DIAMINENS000315621,3,5-Triazine-2,4-diamine, N,N,N',N'-tetrakis(methoxymethyl)-6-phenyl-
Show more names
2,4-Bis[di(methoxymethyl)amino]-6-phenyl-1,3,5-triazine2,4-Bis[bis(methoxymethyl)amino]-6-phenyl-1,3,5-triazineN,N,N',N'-Tetrakis(methoxymethyl)-6-phenyl-1,3,5-triaza-1,3,5-cyclohexatriene-2,4-diamine
1,3,5-Triazine-2,4-diamine, N2,N2,N4,N4-tetrakis(methoxymethyl)-6-phenyl-N~2~,N~2~,N~4~,N~4~-Tetrakis(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine

Database identifiers

CAS
4588-69-6
PubChem CID
78336
DTXSID
DTXSID20196636
UNII
U5FY2VJJ2D
EC Number
224-973-8
Nikkaji
J33.213E

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
82.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
11
Heavy atoms
26
Formal charge
0
Complexity
337

Physicochemical properties

Melting point
92 °C · 92 °C(Solv: water (7732-18-5))
Boiling point
500.6 · 500.6±60.0 °C(Predicted)
Density
1.203 · 1.203±0.06 g/cm3(Predicted)
pka
1.67 · 1.67±0.10(Predicted)

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