6-Benzyl-1,3,5-triazine-2,4-diamine
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Basic information
- CAS
1853-88-9- Standard SMILES
Nc1nc(N)nc(Cc2ccccc2)n1- InChIKey
GNOXQMPUXDWYPS-UHFFFAOYSA-N- Molecular formula
- C10H11N5
- Average molar mass
- 201.23 g/mol
- Monoisotopic mass
- 201.10144537
Names & identifiers
- Preferred name
- 6-Benzyl-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-benzyl-1,3,5-triazine-2,4-diamine
- English name
- 6-benzyl-1,3,5-triazine-2,4-diamine
- Molecular formula
- C10H11N5
- Molecular weight
- 201.23
Names & synonyms
6-Benzyl-1,3,5-triazine-2,4-diamine1853-88-9NSC-4406S-Triazine, 2,4-diamino-6-benzyl-1,3,5-Triazine-2,4-diamine, 6-(phenylmethyl)-NSC4406EINECS 217-449-54-amino-6-benzyl-1,3,5-triazin-2-ylamineYF99DU9BZLOprea1_573942Oprea1_684457SCHEMBL3416553
Show more names
6-Benzyl-s-triazine-2,4-diamine[4-amino-6-(benzyl)-s-triazin-2-yl]amine6-Phenylmethyl-1,3,5-triazine-2,4-diamine
DTXSID10171770HTS03731NSC 4406STK388787AKOS000735131CCG-1035322,4-diamino-6-benzyl-1,3,5-triazine2,4-DIAMINO-6-BENZYL-S-TRIAZINE
Database identifiers
- CAS
1853-88-9- PubChem CID
- 15819
- DTXSID
DTXSID10171770- UNII
- YF99DU9BZL
- EC Number
- 217-449-5
- Nikkaji
- J199.669J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Melting point
- 185 · 185-190 °C
- Boiling point
- 512.9 · 512.9±43.0 °C(Predicted)
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- pka
- 4.39 · 4.39±0.10(Predicted)
- FDA UNII
- 99 DU9BZL · YF99DU9BZL
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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