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