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Basic information
- CAS
89443-77-6- Standard SMILES
CCN(CC)CCCNc1n[nH]c2c(I)cccc12- InChIKey
HGCWWWSOVLNWKQ-UHFFFAOYSA-N- Molecular formula
- C14H21IN4
- Average molar mass
- 372.25 g/mol
- Monoisotopic mass
- 372.08109467
Names & identifiers
- Preferred name
- N~1~,N~1~-Diethyl-N~3~-(7-iodo-1H-indazol-3-yl)propane-1,3-diamine
- IUPAC
- N',N'-diethyl-N-(7-iodo-1H-indazol-3-yl)propane-1,3-diamine
Names & synonyms
89443-77-6SCHEMBL10369917DTXSID70602853HGCWWWSOVLNWKQ-UHFFFAOYSA-NN~1~,N~1~-Diethyl-N~3~-(7-iodo-1H-indazol-3-yl)propane-1,3-diamine3-(3-diethylaminopropylamino)-7-iodoindazole
Database identifiers
- CAS
89443-77-6- PubChem CID
- 20135861
- DTXSID
DTXSID70602853
Properties
Computed structural propertiesFilling in
- 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
4 records
Compound notes
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