CAS 588-05-6 m-Tyramine (HCID 11492)

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Basic information

CAS: 588-05-6
Standard SMILES: NCCc1cccc(O)c1
InChIKey: GHFGJTVYMNRGBY-UHFFFAOYSA-N
Molecular formula: C8H11NO
Average molar mass: 137.18 g/mol
Monoisotopic mass: 137.08406397

Overview

M-tyramine is a primary amino compound that is 2-phenylethanamine substituted by a hydroxy group at position 3. It has a role as a neurotransmitter and a human urinary metabolite. It is a member of tyramines and a primary amino compound. It is a conjugate base of a m-tyraminium.

Names & identifiers

Preferred name: m-Tyramine
IUPAC: 3-(2-aminoethyl)phenol
English name: 2-(3-Hydroxyphenyl)ethylamine
Molecular formula: C8H11NO
Molecular weight: 137.18

Names & synonyms

m-Tyramine3-(2-AMINOETHYL)PHENOL588-05-63-Tyraminemeta-Tyramine3-Hydroxyphenylethylamine2-(3-HYDROXYPHENYL)ETHYLAMINEPhenol, 3-(2-aminoethyl)-m-HydroxyphenethylamineK1OA38R0EZDTXSID50207522CHEBI:89626

Show more names

3-(2-Aminoethyl)phenol HBrAURORA KA-7836RARECHEM AN KA 0120M-(2-AMinoethyl)phenol

RefChem:154898DTXCID001300133-(2-Amino-ethyl)-phenol3-HydroxyphenethylamineMetatyramineMFCD06654561Phenol, m-(2-aminoethyl)-CHEMBL145584

Database identifiers

CAS: 588-05-6
PubChem CID: 11492
DTXSID: DTXSID50207522
ChEMBL: CHEMBL145584
ChEBI: CHEBI:89626
UNII: K1OA38R0EZ
EC Number: 671-526-1
Nikkaji: J259.678D

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 95.3

Experimental & physicochemical properties

Solubility10.4 mg/mL at 15 °C

Melting Point164 - 165 °C

Physical DescriptionSolid

Physicochemical properties

Melting point: 140 °C · 140 °C
Boiling point: 275.5 · 275.5±15.0 °C(Predicted)
Density: 1.103 · 1.103±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Store at -20°C
solubility: 2 O: · H2O: ≥10 mg/mL
pka: 9.58 · 9.58±0.10(Predicted)
form: solid
color: off-white to tan
CAS DataBase Reference: 588 · 588-05-6(CAS DataBase Reference)
FDA UNII: 1 OA38R0EZ · K1OA38R0EZ
Symbol(GHS)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (95.1%)

Safety data

wgk: 3
rtecs: SJ5975000
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT-HARMFUL
Hazard statements: H318-H302
Precautionary statements: P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Applications

UsesTyramine is an endogenous compound which exists in the brain as a trace amine but is also an exogenous compound which is found in foods such as cheese and wine.

UsesBrain microsomes were able to metabolize tyramine to dopamine.