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CAS No.: | 52760-47-1 |
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Name: | Tametraline |
Molecular Structure: | |
Formula: | C17H19 N . Cl H |
Molecular Weight: | 273.8004 |
Synonyms: | 1-Naphthalenamine,1,2,3,4-tetrahydro-N-methyl-4-phenyl-, hydrochloride, (1R,4S)- (9CI);1-Naphthalenamine, 1,2,3,4-tetrahydro-N-methyl-4-phenyl-, hydrochloride,(1R-trans)-;1R,4S-N-Methyl-4-phenyl-1,2,3,4-tetrahydro-1-naphthylaminehydrochloride;CP 24441-1;Tametraline hydrochloride; |
Density: | g/cm3 |
Boiling Point: | 366.5°Cat760mmHg |
Flash Point: | 183.7°C |
PSA: | 12.03000 |
LogP: | 5.06570 |
The Tametraline hydrochloride,with the CAS registry number 52760-47-1,is also known as Tametraline hydrochloride.It belongs to the product categories of Medicine material.This chemical's molecular formula is C17H20ClN and molecular weight is 273.8.What's more, it is counterdepressant,which can be used for depression.
Physical properties about Tametraline hydrochloride are:(1)ACD/LogP: 3.746; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 2.99; (7)ACD/KOC (pH 5.5): 2.28; (8)ACD/KOC (pH 7.4): 18.79; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Flash Point: 183.7 °C; (13)Enthalpy of Vaporization: 61.3 kJ/mol; (14)Boiling Point: 366.5 °C at 760 mmHg; (15)Vapour Pressure: 1.45E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Cl.c1ccc3c(c1)[C@H](c2ccccc2)CC[C@H]3NC;
(2)Std. InChI:InChI=1S/C17H19N.ClH/c1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17;/h2-10,14,17-18H,11-12H2,1H3;1H/t14-,17+;/m0./s1;
(3)Std. InChIKey:XTSOELQVDLSJFM-SQQLFYIASA-N;