Basic information
- CAS
136706-32-6- Standard SMILES
CN[C@@H](C)Cc1cc(O)c(O)cc1O- InChIKey
YTALUFDCWBLHNU-LURJTMIESA-N- Molecular formula
- C10H15NO3
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.10519334
Overview
structure given in first source; an in vitro metabolite of 2-hydroxy-4,5-(methylenedioxy)methamphetamine
Names & identifiers
- Preferred name
- 1,2,4-Benzenetriol, 5-(2-(methylamino)propyl)-, (S)-
- IUPAC
- 5-[(2S)-2-(methylamino)propyl]benzene-1,2,4-triol
- English name
- 2,4,5-trihydroxymethamphetamine
- Molecular formula
- C10H15NO3
- Molecular weight
- 197.23
Names & synonyms
2,4,5-TrihydroxymethamphetamineTri-HO-MA136706-32-6K5ZT2JD76SDTXSID508972451,2,4-Benzenetriol, 5-(2-(methylamino)propyl)-, (S)-5-(2-(Methylamino)propyl)-1,2,4-benzenetriol, (S)-RefChem:82034DTXCID501326630(S)-5-(2-(Methylamino)propyl)benzene-1,2,4-triol5-[(2S)-2-(methylamino)propyl]benzene-1,2,4-triolSCHEMBL34464659
Show more names
1,2,4-Benzenetriol, 5-[2-(methylamino)propyl]-, (S)- (9CI)
NS00075475(S)-5-(2-(Methylamino)propyl)-1,2,4-benzenetriol
Database identifiers
- CAS
136706-32-6- PubChem CID
- 131985
- DTXSID
DTXSID50897245- UNII
- K5ZT2JD76S
- Nikkaji
- J3.087.485D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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