Basic information
- CAS
107806-90-6- Standard SMILES
COc1ccc2[nH]cc(CCN)c2c1[N+](=O)[O-]- InChIKey
XSQINWNNKSQCOH-UHFFFAOYSA-N- Molecular formula
- C11H13N3O3
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.09569129
Names & identifiers
- Preferred name
- 4-Nitro-5-methoxytryptamine
- IUPAC
- 2-(5-methoxy-4-nitro-1H-indol-3-yl)ethanamine
- English name
- 2-(5-methoxy-4-nitro-1H-indol-3-yl)ethanamine
- Molecular formula
- C11H14ClN3O3
- Molecular weight
- 271.7
Names & synonyms
4-Nitro-5-methoxytryptamine107806-90-6DTXSID90148248RefChem:100024DTXCID50707392-(5-methoxy-4-nitro-1H-indol-3-yl)ethanamineSCHEMBL85455922-(5-Methoxy-4-nitro-1H-indol-3-yl)ethan-1-amine
Database identifiers
- CAS
107806-90-6- PubChem CID
- 147133
- DTXSID
DTXSID90148248
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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