Disulfodisalicylidenepropane-1,1-diamine
Basic information
- CAS
23435-80-5- Standard SMILES
NC(N)(C(=C/c1ccccc1O)/C(=C/c1ccccc1O)S(=O)(=O)O)S(=O)(=O)O- InChIKey
XMLZMFDMVIGXFU-UHFFFAOYSA-N- Molecular formula
- C17H18N2O8S2
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.05045788
Names & identifiers
- Preferred name
- Disulfodisalicylidenepropane-1,1-diamine
- IUPAC
- (Z,2E)-1,1-diamino-4-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylidene]but-3-ene-1,3-disulfonic acid
- English name
- disulfodisalicylidenepropane-1,1-diamine
- Molecular formula
- C17H18N2O8S2
- Molecular weight
- 442.47
Names & synonyms
DSSPDDisulfodisalicylidenepropane-1,1-diamine23435-80-5RefChem:135159(Z,2E)-1,1-diamino-4-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylidene]but-3-ene-1,3-disulfonic acidSCHEMBL30763260Benzenesulfonic acid, 3,3'-(1,3-propanediylbis(nitrilomethylidyne))bis(4-hydroxy-Benzenesulfonic acid, 3,3'-[1,3-propanediylbis(nitrilomethylidyne)]bis[4-hydroxy- (9CI)
Database identifiers
- CAS
23435-80-5- PubChem CID
- 6440239
Properties
Computed structural properties
- XLogP
- -4.8
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 853
Physicochemical properties
- Density
- 1.535 · 1.535±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.562 · -0.562±0.50(predicted)
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Related reactions
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Compound notes
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