Basic information
- CAS
1152-76-7- Standard SMILES
COc1cc(CCN)cc(OC)c1OC.O=S(=O)(O)O- InChIKey
AEEOQROQKAFCJB-UHFFFAOYSA-N- Molecular formula
- C11H19NO7S
- Average molar mass
- 309.34 g/mol
- Monoisotopic mass
- 309.08822312
Names & identifiers
- Preferred name
- Mescaline sulfate
- IUPAC
- sulfuric acid;2-(3,4,5-trimethoxyphenyl)ethanamine
Names & synonyms
Mescaline sulfateMescaline acid sulfate5967-42-01152-76-7UNII-ADE45928XQADE45928XQPhenethylamine, 3,4,5-trimethoxy-, sulfate (1:1)Benzeneethanamine, 3,4,5-trimethoxy-, sulfate (1:1)MESCALINE ACID SULPHATEPhenethylamine, 3,4,5-trimethoxy-, sulfateBenzeneethanamine, 3,4,5-trimethoxy-, sulfateRefChem:156662
Show more names
Benzeneethanamine, 3,4,5-trimethoxy-, sulfate (1:1) (9CI)Mescaline hydrogen sulfatesulfuric acid;2-(3,4,5-trimethoxyphenyl)ethanamineNSC-1274863,4,5-Trimethoxyphenethylamine sulfate (1:1)3,4,5-Trimethoxybenzeneethanamine sulfate2-(3,4,5-trimethoxyphenyl)ethanamine SulfateSCHEMBL7637450
Database identifiers
- CAS
1152-76-7、5967-42-0、642-73-9- PubChem CID
- 71609
- UNII
- ADE45928XQ
- EC Number
- 634-554-5、637-365-6
Properties
Computed structural properties
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 245
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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