Basic information
- CAS
175204-68-9- Standard SMILES
CC(C)(C)c1nc(N)nc(=O)[nH]1- InChIKey
PTAIFTWNKAGNFS-UHFFFAOYSA-N- Molecular formula
- C7H12N4O
- Average molar mass
- 168.2 g/mol
- Monoisotopic mass
- 168.10111102
Names & identifiers
- Preferred name
- 4-Amino-6-(tert-butyl)-1,3,5-triazin-2-ol
- IUPAC
- 4-amino-6-tert-butyl-1H-1,3,5-triazin-2-one
- English name
- 4-Amino-6-(tert-butyl)-1,3,5-triazin-2-ol
- Molecular formula
- C7H12N4O
- Molecular weight
- 168.2
Names & synonyms
4-amino-6-(tert-butyl)-1,3,5-triazin-2-ol175204-68-94-amino-6-tert-butyl-1H-1,3,5-triazin-2-oneMaybridge1_006389Oprea1_371253MLS000850697SCHEMBL1095093CHEMBL1399171HMS559K09DTXSID30351012HMS2790N10SBB000159
Show more names
TIMTEC-BB SBB0001592-AMINO-4-(TERT-BUTYL)-6-HYDROXY-1,3,5-TRIAZINE1,3,5-Triazin-2(1H)-one, 6-amino-4-(1,1-dimethylethyl)-
AKOS006227612AKOS026731021SMR000456714DB-065040ST503075424-Amino-6-tert-butyl-1,3,5-triazin-2(5H)-one
Database identifiers
- CAS
175204-68-9- PubChem CID
- 135410100
- DTXSID
DTXSID30351012- ChEMBL
CHEMBL1399171
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
Solubility23.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 275 °C · 275 °C
- Boiling point
- 260.6 · 260.6±23.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 7.42 · 7.42±0.70(Predicted)
Chemistry & industry
Suppliers5 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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