Phenol, 3-(2-aminoethyl)-, hydrochloride supplier

Name
3-HYDROXYPHENETHYLAMINE HYDROCHLORIDE
EINECS 222-396-6
CAS No. 3458-98-8
Article Data4
CAS DataBase
Density 1.103g/cm3
Solubility H₂O:≥10 mg/mL
Melting Point 162 °C
Formula C₈H₁₂ClNO
Boiling Point 275.5 °C at 760 mmHg
Molecular Weight 173.642
Flash Point 120.4 °C
Transport Information
Appearance off-white to tan solid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(2-Aminoethyl)phenolhydrochloride;3-Hydroxyphenethylamine hydrochloride;m-Tyramine hydrochloride;2-(3-Hydroxyphenyl)ethanamine hydrochloride;2-(3-Hydroxyphenyl)ethylamine hydrochloride;Phenol, m-(2-aminoethyl)-,hydrochloride (8CI);Phenol,3-(2-aminoethyl)-, hydrochloride (9CI);
PSA 46.25000
LogP 2.39570

Phenol, 3-(2-aminoethyl)-, hydrochloride Specification

The Phenol, 3-(2-aminoethyl)-, hydrochloride, with the CAS registry number 3458-98-8, is also known as 3-Hydroxyphenethylamine hydrochloride. Its EINECS number is 222-396-6. This chemical's molecular formula is C₈H₁₂ClNO and molecular weight is 173.64. What's more, its systematic name is 3-(2-aminoethyl)phenol hydrochloride. Its classification code is Drug/Therapeutic Agent.

Physical properties of Phenol, 3-(2-aminoethyl)-, hydrochloride are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.36; (4)ACD/LogD (pH 7.4): -1.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 12.47 Å²; (11)Flash Point: 120.4 °C; (12)Enthalpy of Vaporization: 53.46 kJ/mol; (13)Boiling Point: 275.5 °C at 760 mmHg; (14)Vapour Pressure: 0.00303 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)O)CCN.Cl
(2)InChI: InChI=1S/C8H11NO.ClH/c9-5-4-7-2-1-3-8(10)6-7;/h1-3,6,10H,4-5,9H2;1H
(3)InChIKey: GTIWCKXKQGMMQZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	608mg/kg (608mg/kg)		Farmakologiya i Toksikologiya Vol. 39, Pg. 600, 1976.

Product Name

3-HYDROXYPHENETHYLAMINE HYDROCHLORIDE

Phenol, 3-(2-aminoethyl)-, hydrochloride Specification

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