CAS No.3458-98-8,3-HYDROXYPHENETHYLAMINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3458-98-8
Name:	3-HYDROXYPHENETHYLAMINE HYDROCHLORIDE
Article Data:	4

Formula:	C₈H₁₂ClNO
Molecular Weight:	173.642
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);
EINECS:	222-396-6
Density:	1.103g/cm3
Melting Point:	162 °C
Boiling Point:	275.5 °C at 760 mmHg
Flash Point:	120.4 °C
Solubility:	H₂O:≥10 mg/mL
Appearance:	off-white to tan solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	46.25000
LogP:	2.39570

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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.