Basic information
- CAS
151250-94-1- Standard SMILES
Nc1nc(C23CC4CC(CC(C4)C2)C3)[nH]c(=O)n1- InChIKey
DUAQZQPORVSDBZ-UHFFFAOYSA-N- Molecular formula
- C13H18N4O
- Average molar mass
- 246.31 g/mol
- Monoisotopic mass
- 246.14806121
Names & identifiers
- Preferred name
- 4-(Adamantan-1-yl)-6-amino-1,3,5-triazin-2-ol
- IUPAC
- 6-(1-adamantyl)-4-amino-1H-1,3,5-triazin-2-one
- English name
- 4-(1-Adamantyl)-6-amino-1,3,5-trazin-2-ol
- Molecular formula
- C13H18N4O
- Molecular weight
- 246.31
Names & synonyms
151250-94-14-(adamantan-1-yl)-6-amino-1,3,5-triazin-2-ol4-(1-adamantyl)-6-amino-1,3,5-trazin-2-ol6-adamantanyl-4-amino-1,3,5-triazin-2-ol6-(1-adamantyl)-4-amino-1H-1,3,5-triazin-2-one4-(Adamantan-1-yl)-6-amino-1,3,5-triazin-2(1H)-one4-(Adamantan-1-yl)-6-amino-1,3,5-triazin-2(5H)-oneMaybridge1_0064771,3,5-Triazin-2(1H)-one,6-amino-4-tricyclo[3.3.1.13,7]dec-1-yl-MFCD00078504Oprea1_420386MLS000850698
Show more names
TIMTEC-BB SBB0008634-(Adamant-1-yl)-6-amino-1,3,5-trazin-2-ol4-(1-Adamantyl)-6-amino-1,3,5-triazin-2-ol4-(1-Adamantyl)-6-amino-1,3,5-trazin-2-ol, 95+%2-(ADAMAN-1-YL)-4-AMINO-6-HYDROXY-1,3,5-TRIAZINE2-(Adamant-1-yl)-4-amino-6-hydroxy-1,3,5-triazine1,3,5-Triazin-2(1H)-one, 6-amino-4-tricyclo[3.3.1.13,7]dec-1-yl-
CHEMBL1705637HMS559O09DTXSID10351010HMS2788A11SBB000863AKOS015908847AKOS025393743SB73442
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 438
Experimental & physicochemical properties
Solubility>36.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 388.4 · 388.4±25.0 °C(Predicted)
- Density
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- pka
- 7.22 · 7.22±0.70(Predicted)
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
Chemistry & industry
Suppliers4 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [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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