N~1~,N~1~-Dibutyl-N~3~-(5-chloro-1H-indazol-3-yl)propane-1,3-diamine
Basic information
- CAS
88944-64-3- Standard SMILES
CCCCN(CCCC)CCCNc1n[nH]c2ccc(Cl)cc12- InChIKey
FTNLXGSVQXCIQI-UHFFFAOYSA-N- Molecular formula
- C18H29ClN4
- Average molar mass
- 336.9 g/mol
- Monoisotopic mass
- 336.2080746
Names & identifiers
- Preferred name
- N~1~,N~1~-Dibutyl-N~3~-(5-chloro-1H-indazol-3-yl)propane-1,3-diamine
- IUPAC
- N',N'-dibutyl-N-(5-chloro-1H-indazol-3-yl)propane-1,3-diamine
Names & synonyms
88944-64-3SCHEMBL10369331DTXSID00602861N~1~,N~1~-Dibutyl-N~3~-(5-chloro-1H-indazol-3-yl)propane-1,3-diamine
Database identifiers
- CAS
88944-64-3- PubChem CID
- 20135908
- DTXSID
DTXSID00602861
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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