4-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)cyclohexanecarbohydrazide
Basic information
- CAS
181148-00-5- Standard SMILES
NNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1- InChIKey
BYLZUECTWAELHO-UHFFFAOYSA-N- Molecular formula
- C12H17N3O3
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.12699141
Names & identifiers
- Preferred name
- 4-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)cyclohexanecarbohydrazide
- IUPAC
- 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide
- English name
- 4-(MALEIMIDOMETHYL)CYCLOHEXANE-1-CARBOXYL-HYDRAZIDE, TRIFLUOROACETIC ACID
- Molecular formula
- C12H17N3O3
- Molecular weight
- 251.28
Names & synonyms
181148-00-54-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)cyclohexanecarbohydrazide4-(Maleimidomethyl)cyclohexane-1-carboxyl-hydrazide, Trifluoroacetic Acid4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide4-N-Maleimidomethylcyclohexane-1-carboxylhydrazide4-(Maleimidomethyl)cyclohexane-1-carboxyl-hydrazide trifluoroacetic acid saltSCHEMBL444454DTXSID901128973AKOS027322567Cyclohexanecarboxylic acid, 4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]-, hydrazide4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbohydrazide4-[(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]cyclohexanecarboxylic acid hydrazide
Show more names
SMCC-HYDRAZIDESMCC-Hydrazide, MMCCH4-(Mleimidomethyl)cyclohexane-1-carboxyl-hydrazide Trifluoroacetic Acid4-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)cyclohexane-1-carbohydrazide 2,2,2-trifluoroacetate
4-[(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide
Database identifiers
- CAS
181148-00-5- PubChem CID
- 4200874
- DTXSID
DTXSID901128973
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Melting point
- 213 · 213-215°C
- Boiling point
- 492.1 · 492.1±14.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- pka
- 13.57 · 13.57±0.40(Predicted)
Chemistry & industry
Applications
UsesA sulfhydryl and carbohydrate reactive, heterobifunctional crosslinking reagent. Glycoprotein reactive
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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