Basic information
- CAS
313276-51-6- Standard SMILES
O=C1CCCCCC1Cn1cncn1- InChIKey
OKZHFCHBRPGRHD-UHFFFAOYSA-N- Molecular formula
- C10H15N3O
- Average molar mass
- 193.25 g/mol
- Monoisotopic mass
- 193.12151211
Names & identifiers
- Preferred name
- 2-(1H-1,2,4-triazol-1-ylmethyl)cycloheptanone
- IUPAC
- 2-(1,2,4-triazol-1-ylmethyl)cycloheptan-1-one
- English name
- 2-(1H-1,2,4-triazol-1-ylmethyl)cycloheptanone(SALTDATA: FREE)
- Molecular formula
- C10H15N3O
- Molecular weight
- 193.25
Names & synonyms
313276-51-62-(1H-1,2,4-triazol-1-ylmethyl)cycloheptanone2-((1H-1,2,4-Triazol-1-yl)methyl)cycloheptanone2-(1,2,4-triazol-1-ylmethyl)cycloheptan-1-oneMFCD006003992-((1H-1,2,4- Triazol-1-yl)methyl)cycloheptanoneDTXSID80398139AKOS005171956BS-37824CS-02051162-(1,2,4-triazol-1-ylmethyl)cycloheptanoneF307275
Show more names
2-(1H-1,2,4-triazol-1-ylmethyl)cycloheptanone(SALTDATA: FREE)
2-[(1H-1,2,4-Triazol-1-yl)methyl]cycloheptan-1-one
Database identifiers
- CAS
313276-51-6- PubChem CID
- 3944012
- DTXSID
DTXSID80398139
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Melting point
- 80 · 80-82 °C
- Boiling point
- 369.6 · 369.6±34.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 2.73 · 2.73±0.10(Predicted)
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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