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| CAS No.: | 73899-76-0 |
|---|---|
| Name: | ()-N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]acetamide monohydrochloride |
| Molecular Structure: | |
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| Formula: | C16H25ClN2O4 |
| Molecular Weight: | 344.83 |
| Synonyms: | (1)-N-(3-Acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)acetamide monohydrochloride; N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide hydrochloride (1:1) |
| EINECS: | 277-629-4 |
| Boiling Point: | 548.8 °C at 760 mmHg |
| Flash Point: | 285.7 °C |
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Specification
The CAS registry number of (1)-N-(3-Acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)acetamide monohydrochloride is 73899-76-0. In addition, the molecular formula is C16H25ClN2O4 and the molecular weight is 344.83. The IUPAC name is N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide hydrochloride. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about (1)-N-(3-Acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)acetamide monohydrochloride are: (1)ACD/LogP: 0.89; (2)ACD/LogD (pH 5.5): -2.12; (3)ACD/LogD (pH 7.4): -0.91; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.16; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 59.08 Å2; (12)Flash Point: 285.7 °C; (13)Enthalpy of Vaporization: 87.18 kJ/mol; (14)Boiling Point: 548.8 °C at 760 mmHg; (15)Vapour Pressure: 7.08E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C)C
(2)InChI: InChI=1/C16H24N2O4.ClH/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19;/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20);1H
(3)InChIKey: RRLYGXRMVLYFNX-UHFFFAOYAR