CAS No.13062-76-5,4-[2-(Methylamino)ethyl]phenol hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13062-76-5
Name:	4-[2-(Methylamino)ethyl]phenol hydrochloride
Article Data:	7

Formula:	C₉H₁₃NO.ClH
Molecular Weight:	187.669
Synonyms:	N-Methyltyramine hydrochloride;
EINECS:	1592732-453-0
Melting Point:	134-136°C
Boiling Point:	270.9 °C at 760 mmHg
Flash Point:	119.7 °C
PSA:	32.26000
LogP:	2.34700

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Specification

The Phenol,4-[2-(methylamino)ethyl]-, hydrochloride (1:1), with the CAS registry number of 13062-76-5, is also known as N-Methyltyramine hydrochloride. Its molecular formula is C₉H₁₃NO.ClH and molecular weight is 187.669. What's more, its IUPAC name is 4-[2-(Methylamino)ethyl]phenol hydrochloride. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about the Phenol,4-[2-(methylamino)ethyl]-, hydrochloride (1:1) are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 12.47 Å²; (7)Flash Point: 119.7 °C; (8)Enthalpy of Vaporization: 52.96 kJ/mol; (9)Boiling Point: 270.9 °C at 760 mmHg; (10)Vapour Pressure: 0.004 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Oc1ccc(cc1)CCNC
(2) InChI: InChI=1/C9H13NO.ClH/c1-10-7-6-8-2-4-9(11)5-3-8;/h2-5,10-11H,6-7H2,1H3;1H
(3) InChIKey: JNZSSRZVHCKFLK-UHFFFAOYAQ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	227mg/kg (227mg/kg)	SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	Journal of Pharmacology and Experimental Therapeutics. Vol. 52, Pg. 101, 1934.