L-Phenylalanine,N-methyl-, methyl ester, hydrochloride (1:1) supplier

Name
N-ME-PHE-OME HCL
EINECS
CAS No. 19460-86-7
Article Data4
CAS DataBase
Density
Solubility
Melting Point
Formula C₁₁H₁₆ClNO₂
Boiling Point 314.9 °C at 760 mmHg
Molecular Weight 229.707
Flash Point 124.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline hydrochloride;6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride 97%;
PSA 38.33000
LogP 2.18300

L-Phenylalanine,N-methyl-, methyl ester, hydrochloride (1:1) 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

Product Name

N-ME-PHE-OME HCL

L-Phenylalanine,N-methyl-, methyl ester, hydrochloride (1:1) Specification

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