Basic information
- CAS
1214-74-0- Standard SMILES
CN1CC(O)c2cc(N=NC(=N)N)c(O)cc21- InChIKey
BMIKYGSCMZGMHZ-UHFFFAOYSA-N- Molecular formula
- C10H13N5O2
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.10692467
Names & identifiers
- Preferred name
- Adrenochrome guanylhydrazone
- IUPAC
- 1-[(3,6-dihydroxy-1-methyl-2,3-dihydroindol-5-yl)imino]guanidine
- English name
- Adrenochrome monoguanylhydrazone
- Molecular formula
- C10H13N5O2
- Molecular weight
- 235.24
Names & synonyms
Adrenochrome guanylhydrazoneAdrenochrome monoguanylhydrazone1214-74-0Adrenochrome MonoaminoguanidineUNII-4FQ1R6995U4FQ1R6995UGuanidine, ((3-hydroxy-1-methyl-6-oxo-5(6H)-indolinylidene)amino)-Hydrazinecarboximidamide, 2-(1,2,3,6-tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-ylidene)-CHEMBL3990061IUCXVORPVOMKHU-UHFFFAOYSA-NNCGC00532513-01ADRENOCHROME GUANYLHYDRAZONE [WHO-DD]
Show more names
Adrenochrome Impurity 4 MonomerGuanidine, [(3-hydroxy-1-methyl-6-oxo-5(6H)-indolinylidene)amino]- (7CI, 8CI)
Q272595331-[(3,6-dihydroxy-1-methyl-2,3-dihydroindol-5-yl)imino]guanidine
Database identifiers
- CAS
1214-74-0- PubChem CID
- 2034
- ChEMBL
CHEMBL3990061- UNII
- 4FQ1R6995U
- Nikkaji
- J1.420F
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Melting point
- 195 · 195-200 °C
- Boiling point
- 451.691 · 451.691±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.633 · 1.633±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.716 · 13.716±0.20(predicted)
- FDA UNII
- 4 FQ1R6995U · 4FQ1R6995U
Chemistry & industry
Suppliers1 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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