o-Tyramine
Basic information
- CAS
2039-66-9- Standard SMILES
NCCc1ccccc1O- InChIKey
FMEVAQARAVDUNY-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Overview
2-(2-aminoethyl)phenol is a primary amine.
Names & identifiers
- Preferred name
- o-Tyramine
- IUPAC
- 2-(2-aminoethyl)phenol
- English name
- 2-(2-aminoethyl)phenol
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
2-(2-Aminoethyl)phenol2039-66-9o-tyramine2-tyramineEINECS 218-016-3o-hydroxyphenylethylamineDTXSID50174326RefChem:855349DTXCID4096817218-016-3PHENOL, 2-(2-AMINOETHYL)-MFCD00192585
Show more names
RARECHEM AN KA 00802-hydrophenethylaMineo-(2-AMinoethyl)phenolo-HydroxyphenethylaMine2-(2-azanylethyl)phenol2-HYDROXYPHENETHYLAMINE2-(o-Hydroxyphenyl)ethylaMine
2-(2-Amino-ethyl)-phenol2-(2-Hydroxyphenyl)EthylamineCHEMBL367501D2TTC59FQW2-(2-Aminoethyl)phenol #SCHEMBL98102SCHEMBL1427697SCHEMBL4189612
Database identifiers
- CAS
2039-66-9- PubChem CID
- 74865
- DTXSID
DTXSID50174326- ChEMBL
CHEMBL367501- ChEBI
CHEBI:125487- UNII
- D2TTC59FQW
- EC Number
- 218-016-3
- Nikkaji
- J124.931B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.3
Physicochemical properties
- Melting point
- 113 · 113-115 °C
- Boiling point
- 258 · 258.0±15.0 °C(Predicted)
- Density
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 9.41 · 9.41±0.35(Predicted)
- Appearance
- Off-white to yellow Solid
- InChI
- InChI=1S/C8H11NO/c9-6-5-7-3-1-2-4-8(7)10/h1-4,10H,5-6,9H2
- InChIKey
- FMEVAQARAVDUNY-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=CC=C1CCN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Description2-Hydroxyphenethylamine (also known as phenylethanolamine) is a kind of trace amine found in the brain. It may modulate the sympathetic functions. It has strong cardiovascular activity, and can be used as a drug to produce topical vasoconstriction. Its derivatives are adrenergic agonists and antagonists, and have the potential for the treatment of respiratory diseases.
UsesA ortho-hydroxylated phenylethylamine present in urine of patients with affective disorder following (MAO-inhibiting) antidepressant drug treatment. It has been used in studies as a substrate of monoamine oxidase B and was revealed to be a potential inactivator of MAO-B.
Uses2-(2-aminoethyl)phenol is a ortho-hydroxylated phenylethylamine present in urine of patients with affective disorder following (MAO-inhibiting) antidepressant drug treatment. It has been used in studies as a substrate of monoa mine oxidase B and was revealed to be a potential inactivator of MAO-B.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 2-(2-aminoethyl)phenol is a primary amine.
Related reactions
7 records
Compound notes
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