Basic information
- CAS
5471-08-9- Standard SMILES
NCCc1ccccc1.NCCc1ccccc1.O=S(=O)(O)O- InChIKey
HETQJCLNYNEHRE-UHFFFAOYSA-N- Molecular formula
- C16H24N2O4S
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.14567842
Names & identifiers
- Preferred name
- Phenethylamine sulfate (2:1)
- IUPAC
- bis(2-phenylethanamine);sulfuric acid
Names & synonyms
phenethylamine sulfate (2:1)RefChem:588809diphenethylamine sulfateBenzeneethanamine, sulfate (2:1)5471-08-92-phenylethanamine;sulfuric acid1KZV7HD7I5UNII-1KZV7HD7I5Bis(phenethylammonium) sulphateDTXSID6063931HETQJCLNYNEHRE-UHFFFAOYSA-NPHENETHYLAMINE SULFATE 97%
Show more names
EINECS 226-805-9NSC 27112AKOS015894390Sulfuric acid--2-phenylethan-1-amine (1/2)Q27252555
Database identifiers
- CAS
5471-08-9- PubChem CID
- 79620
- DTXSID
DTXSID6063931- UNII
- 1KZV7HD7I5
- EC Number
- 226-805-9
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 146
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationA loosely defined grouping of drugs that have effects on psychological function. Here the psychotropic agents include the antidepressive agents, hallucinogens, and tranquilizing agents (including the antipsychotics and anti-anxiety agents).
Uses & manufacturing
General Manufacturing InformationBenzeneethanamine, sulfate (2:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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