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Basic information
- CAS
140126-77-8- Standard SMILES
CCCCc1n[nH]c(CCCC)n1- InChIKey
QONZJNWWQDCGEZ-UHFFFAOYSA-N- Molecular formula
- C10H19N3
- Average molar mass
- 181.28 g/mol
- Monoisotopic mass
- 181.15789761
Names & identifiers
- Preferred name
- 3,5-Dibutyl-1H-1,2,4-triazole
- IUPAC
- 3,5-dibutyl-1H-1,2,4-triazole
Names & synonyms
3,5-dibutyl-1H-1,2,4-triazole140126-77-8DTXSID90566044RefChem:271619DTXCID70516820SCHEMBL4771122SCHEMBL8584189QONZJNWWQDCGEZ-UHFFFAOYSA-N3,5-Dibutyl-4H-1,2,4-triazoleDB-203974
Database identifiers
- CAS
140126-77-8- PubChem CID
- 14955795
- DTXSID
DTXSID90566044- Nikkaji
- J3.079.797C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 127
Chemistry & industry
Suppliers2 total
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
18 records
Compound notes
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