Malononitrile, 4-hydroxy-5-iodo-3-methoxy-, compd. with 3-methoxypropylamine
Basic information
- CAS
73747-69-0- Standard SMILES
COCCCN.COc1cc(C=C(C#N)C#N)cc(I)c1O- InChIKey
JNEHRRSRZFCLGY-UHFFFAOYSA-N- Molecular formula
- C15H18IN3O3
- Average molar mass
- 415.23 g/mol
- Monoisotopic mass
- 415.03929
Names & identifiers
- Preferred name
- Malononitrile, 4-hydroxy-5-iodo-3-methoxy-, compd. with 3-methoxypropylamine
- IUPAC
- 2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrile;3-methoxypropan-1-amine
Names & synonyms
3-Methoxypropylammonium 4-dicyanovinyl-6-iodo-2-methoxyphenoxide73747-69-0DTXSID70224094RefChem:351894DTXCID70146585[(4-Hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrile--3-methoxypropan-1-amine (1/1)
Database identifiers
- CAS
73747-69-0- PubChem CID
- 52386
- DTXSID
DTXSID70224094
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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