Basic information
- Name:
3-Hydroxytyramine hydrochloride
- CAS No.:
62-31-7
- Molecular Structure:
- Formula:
- C8H12ClNO2
- Molecular Weight:
- 189.66
- Synonyms:
- 1,2-Benzenediol,4-(2-aminoethyl)-, hydrochloride (9CI);Pyrocatechol, 4-(2-aminoethyl)-,hydrochloride (8CI);2-(3,4-Dihydroxyphenyl)ethylamine hydrochloride;3,4-Dihydroxy-b-phenethylaminehydrochloride;3,4-Dihydroxyphenethylamine hydrochloride;4-(2-Aminoethyl)-1,2-benzenediol hydrochloride;ASL 279;Cardiosteril;Dopamine chloride;Dopamine hydrochloride;Dopastat;Revivan;Tensamin;m-Hydroxytyramine hydrochloride;b-(3,4-Dihydroxyphenyl)ethylaminehydrochloride;
- EINECS:
- 200-527-8
- Melting Point:
- 248-250 °C(lit.)
- Boiling Point:
- 337.7 °C at 760 mmHg
- Flash Point:
- 158 °C
- Solubility:
- Soluble in water
- Appearance:
- off-white crystals
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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Chemistry
Molecular Structure of 3-Hydroxytyramine hydrochloride (CAS NO.62-31-7):
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IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol hydrochloride
Empirical Formula: C8H12ClNO2
Molecular Weight: 189.6394
H bond acceptors: 3
H bond donors: 4
Freely Rotating Bonds: 5
Polar Surface Area: 21.7Å2
Flash Point: 158 °C
Enthalpy of Vaporization: 60.4 kJ/mol
Boiling Point: 337.7 °C at 760 mmHg
Vapour Pressure: 5.27E-05 mmHg at 25°C
Melting point: 248-250 °C(lit.)
Solubility alcohol: 20 mg/mL
Water Solubility: soluble
Sensitive: Air & Light Sensitive
Merck: 14,3421
BRN: 3656720
EINECS: 200-527-8
Product Categories: Anilines, Aromatic Amines and Nitro Compounds; Dopamine receptor
Stability: Stable. Incompatible with strong oxidizing agents. Combustible.
InChI
InChI=1/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H
Smiles
c1(cc(c(O)cc1)O)CCN.Cl
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | 79mg/kg (79mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 2208, 1978. |
| man | TDLo | intravenous | 1429ug/kg (1.429mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE | Critical Care Medicine. Vol. 9, Pg. 658, 1981. |
| mouse | LD50 | intraperitoneal | 914mg/kg (914mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
| mouse | LD50 | intravenous | 156mg/kg (156mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
| mouse | LD50 | oral | 4361mg/kg (4361mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
| mouse | LD50 | subcutaneous | 1366mg/kg (1366mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
| rabbit | LD50 | intravenous | 90mg/kg (90mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
| rat | LD50 | intraperitoneal | 597mg/kg (597mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
| rat | LD50 | intravenous | 4800ug/kg (4.8mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
| rat | LD50 | oral | 2859mg/kg (2859mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
| rat | LD50 | subcutaneous | 647mg/kg (647mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 2311, 1974. |
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 2
RTECS: UX1092000
F: 8-10-23
Hazard Note: Irritant
HS Code: 29222900
Specification
3-Hydroxytyramine hydrochloride , with CAS number of 62-31-7, can be called .beta.-(3,4-Dihydroxyphenyl)ethylamine hydrochloride ; 1,2-Benzenediol, 4- (2-aminoethyl)-, hydrochloride ; 1,2-benzenediol, 4-(2-aminoethyl)-, hydrochloride (1:1) ; 4-(2-aminoéthyl)benzène-1,2-diol chlorhydrate ; 4-(2-aminoethyl)-Pyrocatechol hydrochloride . It is an off-white crystal.
