1,3,5-Triazine-2,4-diamine, N-(phenylmethyl)-
Basic information
- CAS
4086-63-9- Standard SMILES
Nc1ncnc(NCc2ccccc2)n1- InChIKey
VWWIROAZLXEHMJ-UHFFFAOYSA-N- Molecular formula
- C10H11N5
- Average molar mass
- 201.23 g/mol
- Monoisotopic mass
- 201.10144537
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, N-(phenylmethyl)-
- IUPAC
- 2-N-benzyl-1,3,5-triazine-2,4-diamine
- English name
- N-Benzyl-1,3,5-triazine-2,4-diamine
- Molecular formula
- C10H11N5
- Molecular weight
- 201.23
Names & synonyms
4086-63-91,3,5-Triazine-2,4-diamine, N-(phenylmethyl)-2-Benzylamino-6-aminotriazineN-(Phenylmethyl)-1,3,5-triazine-2,4-diamineDTXSID50193835RefChem:217401DTXCID90116326N-benzyl-1,3,5-triazine-2,4-diamineN2-Benzyl-1,3,5-triazine-2,4-diamine2-N-benzyl-1,3,5-triazine-2,4-diamineMFCD01679015CHEMBL4984555
Show more names
(4-amino-s-triazin-2-yl)-(benzyl)amine1,3,5-Triazine-2,4-diamine, N2-(phenylmethyl)-
SCHEMBL283025962-benzylamino-4-amino-s-triazineALBB-017068SBB082964STK293191AKOS002675844SB73290LS-05432
Database identifiers
- CAS
4086-63-9- PubChem CID
- 77707
- DTXSID
DTXSID50193835- ChEMBL
CHEMBL4984555
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 182 · 182-182.5 °C
- Boiling point
- 458 · 458.0±38.0 °C(Predicted)
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- pka
- 4.2 · 4.20±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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