Evandamine
Basic information
- CAS
100035-75-4- Standard SMILES
CC1CC(N)=NN1c1nc2c(s1)CCCC2- InChIKey
GINRFPGQEWNBJV-UHFFFAOYSA-N- Molecular formula
- C11H16N4S
- Average molar mass
- 236.34 g/mol
- Monoisotopic mass
- 236.1095677
Names & identifiers
- Preferred name
- Evandamine
- IUPAC
- 3-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydropyrazol-5-amine
- English name
- EVODIAE EXTRACT 10% EVODIAMINE
- Molecular formula
- C11H16N4S
- Molecular weight
- 236.34
Names & synonyms
Evandamine100035-75-4Evandamine [INN]UNII-ZG2L2878MDZG2L2878MDDTXSID40881370(+-)-2-(3-Amino-5-methyl-2-pyrazolin-1-yl)-4,5,6,7-tetrahydrobenzothiazoleRefChem:139663DTXCID208173393-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydropyrazol-5-amineEvandaminaorb1737804
Show more names
EVODIAE EXTRACT 10% EVODIAMINE1H-Pyrazol-3-amine, 4,5-dihydro-5-methyl-1-(4,5,6,7-tetrahydro-2-benzothiazolyl)-
SCHEMBL6009808CHEMBL2104274GINRFPGQEWNBJV-UHFFFAOYSA-NNS00121620Q272954603-Amino-5-methyl-1-(4,5,6,7-tetrahydro-benzothiazolyl)-2-pyrazoline(+/-)-2-(3-AMINO-5-METHYL-2-PYRAZOLIN-1-YL)-4,5,6,7-TETRAHYDROBENZOTHIAZOLE(- )-2-(3-Amino-5-methyl-2-pyrazolin-1-yl)-4,5,6,7-tetrahydrobenzothiazole.
Database identifiers
- CAS
100035-75-4- PubChem CID
- 3038554
- DTXSID
DTXSID40881370- ChEMBL
CHEMBL2104274- UNII
- ZG2L2878MD
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 410.7 · 410.7±48.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 4.81 · 4.81±0.20(Predicted)
- FDA UNII
- 2 L2878MD · ZG2L2878MD
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Related reactions
1 records
Compound notes
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