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CAS No.: | 93963-24-7 |
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Name: | N-ethyl-p-methoxy-alpha-methylphenethylamine hydrochloride |
Molecular Structure: | |
Formula: | C12H20ClNO |
Molecular Weight: | 229.75 |
Synonyms: | Benzeneethanamine,N-ethyl-4-methoxy-a-methyl-, hydrochloride (9CI); |
EINECS: | 300-765-3 |
Melting Point: | 156-157 °C |
Boiling Point: | 280.6 °C at 760 mmHg |
Flash Point: | 116.1 °C |
Solubility: | very faint turbidity in Water |
PSA: | 21.26000 |
LogP: | 3.42860 |
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The Benzeneethanamine,N-ethyl-4-methoxy-α-methyl-, hydrochloride (1:1), with the CAS registry number 93963-24-7, is also known as 4-(2-Ethylaminopropyl)anisole hydrochloride. It belongs to the product category of APIS. Its EINECS registry number is 300-765-3. This chemical's molecular formula is C12H20ClNO and molecular weight is 229.7463. Its IUPAC name is called N-ethyl-1-(4-methoxyphenyl)propan-2-amine hydrochloride. This chemical's classification code is Drug / Therapeutic Agent.
Physical properties of Benzeneethanamine,N-ethyl-4-methoxy-α-methyl-, hydrochloride (1:1): (1)ACD/LogP: 2.39; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 5; (5)Flash Point: 116.1 °C; (6)Enthalpy of Vaporization: 51.94 kJ/mol; (7)Boiling Point: 280.6 °C at 760 mmHg; (8)Vapour Pressure: 0.00374 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCNC(C)CC1=CC=C(C=C1)OC.Cl
(2)InChI: InChI=1S/C12H19NO.ClH/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11;/h5-8,10,13H,4,9H2,1-3H3;1H
(3)InChIKey: KWQLOEWGKCQLPR-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | intravenous | 40mg/kg (40mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of Pharmacology and Experimental Therapeutics. Vol. 94, Pg. 150, 1948. |