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(R)-4-Amino-3-(4-methoxyphenyl)butanoic acid

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Name

(R)-4-Amino-3-(4-methoxyphenyl)butanoic acid

EINECS N/A
CAS No. 740774-41-8 Density 1.173 g/cm3
PSA 72.55000 LogP 1.91250
Solubility N/A Melting Point N/A
Formula C11H15NO3 Boiling Point 374.8 °C at 760 mmHg
Molecular Weight 209.24 Flash Point 180.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 740774-41-8 ((R)-4-Amino-3-(4-methoxyphenyl)butanoic acid) Hazard Symbols N/A
Synonyms

(R)-4-Amino-3-(4-methoxyphenyl)butanoic acid

 

(R)-4-Amino-3-(4-methoxyphenyl)butanoic acid Specification

The CAS register number of (R)-4-Amino-3-(4-methoxyphenyl)butanoic acid is 740774-41-8. The systematic name about this chemical is (3R)-4-amino-3-(4-methoxyphenyl)butanoic acid. The molecular formula about this chemical is C11H15NO3 and the molecular weight is 209.24.

Physical properties about (R)-4-Amino-3-(4-methoxyphenyl)butanoic acid are: (1)ACD/LogP: 0.88; (2)ACD/LogD (pH 5.5): -1.62; (3)ACD/LogD (pH 7.4): -1.62; (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; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 38.77Å2; (12)Index of Refraction: 1.55; (13)Molar Refractivity: 56.84 cm3; (14)Molar Volume: 178.3 cm3; (15)Polarizability: 22.53x10-24cm3; (16)Surface Tension: 48 dyne/cm; (17)Enthalpy of Vaporization: 65.64 kJ/mol; (18)Boiling Point: 374.8 °C at 760 mmHg; (19)Vapour Pressure: 2.78E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@H](c1ccc(OC)cc1)CN
(2)InChI: InChI=1/C11H15NO3/c1-15-10-4-2-8(3-5-10)9(7-12)6-11(13)14/h2-5,9H,6-7,12H2,1H3,(H,13,14)/t9-/m0/s1
(3)InChIKey: CMEUTESMNAONPQ-VIFPVBQEBH
(4)Std. InChI: InChI=1S/C11H15NO3/c1-15-10-4-2-8(3-5-10)9(7-12)6-11(13)14/h2-5,9H,6-7,12H2,1H3,(H,13,14)/t9-/m0/s1
(5)Std. InChIKey: CMEUTESMNAONPQ-VIFPVBQESA-N

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