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| CAS No.: | 19460-86-7 |
|---|---|
| Name: | N-ME-PHE-OME HCL |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: |
C11H16ClNO2 |
| Molecular Weight: | 229.707 |
| Synonyms: | 1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline hydrochloride;6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride 97%; |
| Boiling Point: | 314.9 °C at 760 mmHg |
| Flash Point: | 124.7 °C |
| PSA: | 38.33000 |
| LogP: | 2.18300 |
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- Total:27 Page 1 of 1 1
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Specification
The L-Phenylalanine,N-methyl-, methyl ester, hydrochloride (1:1), with the CAS registry number 19460-86-7, is also known as 1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline hydrochloride and 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride 97%. This chemical's molecular formula is C11H16ClNO2 and molecular weight is 229.7032.
Physical properties about L-Phenylalanine,N-methyl-, methyl ester, hydrochloride (1:1) are: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.82; (4)ACD/LogD (pH 7.4): -0.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.45; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Flash Point: 124.7 °C; (14)Enthalpy of Vaporization: 55.61 kJ/mol; (15)Boiling Point: 314.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000451 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].O(c1c(OC)cc2c(c1)C[NH2+]CC2)C
(2) InChI: InChI=1/C11H15NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-6,12H,3-4,7H2,1-2H3;1H
(3) InChIKey: SHOWAGCIRTUYNA-UHFFFAOYAR