Basic information
- CAS
1137-04-8- Standard SMILES
COc1ccc2[nH]cc(CC(C)N)c2c1- InChIKey
OGNJZVNNKBZFRM-UHFFFAOYSA-N- Molecular formula
- C12H16N2O
- Average molar mass
- 204.27 g/mol
- Monoisotopic mass
- 204.12626313
Overview
1-(5-methoxy-1H-indol-3-yl)-2-propanamine is a member of tryptamines. It is functionally related to a serotonin.
Names & identifiers
- Preferred name
- 5-Methoxy-alpha-methyltryptamine
- IUPAC
- 1-(5-methoxy-1H-indol-3-yl)propan-2-amine
- English name
- 5-Methoxy-alpha-methyltryptamine
- Molecular formula
- C12H16N2O
- Molecular weight
- 204.27
Names & synonyms
5-Methoxy-alpha-methyltryptamine1137-04-85-meo-amtAlpha-Oalpha,O-DimethylserotoninU5XOB9AQ15DTXSID608937581H-Indole-3-ethanamine, 5-methoxy-alpha-methyl-RefChem:913507DTXCID9013237831-(5-methoxy-1H-indol-3-yl)propan-2-amineCHEMBL31115
Show more names
2-(1H-INDOL-3-YL)ETHANAMINE1H-INDOLE-3-ETHANAMINE5-methoxy AMTAURORA KA-7834RARECHEM AH BS 0131RARECHEM AN KC 0154TIMTEC-BB SBB0039635-Methoxy-alpha-methLABOTEST-BB LTBB000729
5-Methoxy-.alpha.-methyltryptamineINDOLE, 3-(2-AMINOPROPYL)-5-METHOXY-5-Methoxy-1H-indole-3-propane-2-aminealpha,O-DMSUNII-U5XOB9AQ15MFCD03840210a,O-Dimethyl serotonin5MeO-AMT
Database identifiers
- CAS
1137-04-8- PubChem CID
- 36906
- DTXSID
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 113 · 113-116 °C(lit.)
- Boiling point
- 137 °C0.15 · 137 °C0.15 mm Hg(lit.)
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 5 mg/ml; · DMF: 5 mg/ml; DMSO: 16 mg/ml; DMSO:PBS(pH7.2) (1:1): 0.5 mg/ml; Ethanol: 14 mg/ml; Methanol: 1 mg/ml
- form
- crystalline
- pka
- 16.92 · 16.92±0.30(Predicted)
- color
- white
- CAS DataBase Reference
- 1137 · 1137-04-8(CAS DataBase Reference)
- FDA UNII
- 5 XOB9AQ15 · U5XOB9AQ15
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H319-H317
- Precautionary statements
- 261 · P261-P264-P270-P271-P272-P280-P301+P312-P330-P302+P352-P304+P340-P305+P351+P338-P362+P364-P333+P313-P321-P337+P313-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 8-23
- wgk
- 3
- rtecs
- NL4020000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H319-H317
- Precautionary statements
- P261-P264-P270-P271-P272-P280-P301+P312-P330-P302+P352-P304+P340-P305+P351+P338-P362+P364-P333+P313-P321-P337+P313-P363-P501
Chemistry & industry
Applications
UsesA hallucinogenic homolog of Serotonin (S274980).
Additional notes
DefinitionChEBI: 1-(5-methoxy-1H-indol-3-yl)-2-propanamine is a member of tryptamines. It is functionally related to a serotonin.
Related reactions
2 records
Compound notes
Loading…