N-bromoacetyl-2-iodo-5-methoxytryptamine
Completing data — refresh the page later to see the latest
Basic information
- CAS
136669-49-3- Standard SMILES
COc1ccc2[nH]c(I)c(CCNC(=O)CBr)c2c1- InChIKey
VFEQIOCRTCGDMH-UHFFFAOYSA-N- Molecular formula
- C13H14BrIN2O2
- Average molar mass
- 437.07 g/mol
- Monoisotopic mass
- 435.92834
Names & identifiers
- Preferred name
- N-bromoacetyl-2-iodo-5-methoxytryptamine
- IUPAC
- 2-bromo-N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
- English name
- N-bromoacetyl-2-iodo-5-methoxytryptamine
- Molecular formula
- C13H14BrIN2O2
- Molecular weight
- 437.07
Names & synonyms
136669-49-3N-Bromoacetyl-2-iodo-5-methoxytryptamineN-BIMBMNEP cpdDTXSID40159884RefChem:163004DTXCID40823752-bromo-N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide2-Bromo-N-(2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl)acetamideAcetamide,2-bromo-N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]-SCHEMBL29409541Acetamide, 2-bromo-N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]-
Database identifiers
- CAS
136669-49-3- PubChem CID
- 131983
- DTXSID
DTXSID40159884
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 607.7 · 607.7±55.0 °C(Predicted)
- Density
- 1.876 · 1.876±0.06 g/cm3(Predicted)
- pka
- 13.43 · 13.43±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…