Basic information
- CAS
4150-61-2- Standard SMILES
CC(C)Nc1ncnc(NC(C)C)n1- InChIKey
JAKGSRMGAOOKEU-UHFFFAOYSA-N- Molecular formula
- C9H17N5
- Average molar mass
- 195.27 g/mol
- Monoisotopic mass
- 195.14839556
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, N,N'-bis(1-methylethyl)-
- IUPAC
- 2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
- English name
- N,N'-Diisopropyl-s-triazine-2,4-diamine
- Molecular formula
- C9H17N5
- Molecular weight
- 195.26
Names & synonyms
1,3,5-Triazine-2,4-diamine, N,N'-bis(1-methylethyl)-4150-61-2s-Triazine, 2,4-bis(isopropylamino)-N,N-Bis(1-methylethyl)-1,3,5-triazine-2,4-diamineSCHEMBL5088409SCHEMBL8542789bis(isopropylamino )-s-triazineDTXSID70961775JAKGSRMGAOOKEU-UHFFFAOYSA-N2,4-Bis(isopropylamino)-s-triazineN,N'-Diisopropyl-s-triazine-2,4-diamineN~2~,N~4~-Di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Show more names
2,4-Bis(isopropylamino)-1,3,5-triazine1,3,5-Triazine-2,4-diamine, N2,N4-bis(1-methylethyl)-
Database identifiers
- CAS
4150-61-2- PubChem CID
- 77795
- DTXSID
DTXSID70961775- Nikkaji
- J102.149D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Melting point
- 213 °C · 213 °C
- Boiling point
- 334.3 · 334.3±25.0 °C(Predicted)
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- pka
- 4.57 · 4.57±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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