Basic information
- CAS
88944-59-6- Standard SMILES
CCN(CC)CCCNc1n[nH]c2cccc(Cl)c12- InChIKey
UHCKNTCFGRHPFF-UHFFFAOYSA-N- Molecular formula
- C14H21ClN4
- Average molar mass
- 280.79 g/mol
- Monoisotopic mass
- 280.14547435
Names & identifiers
- Preferred name
- 1,3-Propanediamine,n3-(4-chloro-1h-indazol-3-yl)-n1,n1-diethyl-
- IUPAC
- N-(4-chloro-1H-indazol-3-yl)-N',N'-diethylpropane-1,3-diamine
Names & synonyms
88944-59-61,3-propanediamine,n3-(4-chloro-1h-indazol-3-yl)-n1,n1-diethyl-SCHEMBL10369350DTXSID80602849UHCKNTCFGRHPFF-UHFFFAOYSA-N3-(diethylaminopropylamino)-4-chloroindazole3-(3-diethylaminopropylamino)-4-chloroindazoleN~3~-(4-Chloro-1H-indazol-3-yl)-N~1~,N~1~-diethylpropane-1,3-diamine
Database identifiers
- CAS
88944-59-6- PubChem CID
- 20135847
- DTXSID
DTXSID80602849
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 260
Related reactions
11 records
Compound notes
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