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CAS No.: | 783300-35-6 |
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Name: | (S)-3-AMINO-3-(3-METHOXY-PHENYL)-PROPIONIC ACID |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C10H13NO3 |
Molecular Weight: | 195.218 |
Synonyms: | (S)-3-Amino-3-(3-methoxyphenyl)propanoic acid;(S)-3-Amino-3-(3-methoxyphenyl)propionic acid; |
Density: | 1.206 g/cm3 |
Boiling Point: | 350.2 °C at 760 mmHg |
Flash Point: | 165.6 °C |
PSA: | 72.55000 |
LogP: | 1.87000 |
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The (S)-3-Amino-3-(3-methoxyphenyl)propanoic acid is an organic compound with the formula C10H13NO3. The systematic name of this chemical is (3S)-3-amino-3-(3-methoxyphenyl)propanoic acid. With the CAS registry number 783300-35-6, it is also named as benzenepropanoic acid, β-amino-3-methoxy-, (betaS)-. The product's categories are Methoxy; 3-Amino-3-phenylpropanoic Acid Analogs.
Physical properties about (S)-3-Amino-3-(3-methoxyphenyl)propanoic acid are: (1)ACD/LogP: 0.83; (2)#H bond acceptors: 4; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 38.77 Å2; (6)Index of Refraction: 1.558; (7)Molar Refractivity: 52.21 cm3; (8)Molar Volume: 161.8 cm3; (9)Polarizability: 20.7×10-24cm3; (10)Surface Tension: 49.7 dyne/cm; (11)Density: 1.206 g/cm3; (12)Flash Point: 165.6 °C; (13)Enthalpy of Vaporization: 62.77 kJ/mol; (14)Boiling Point: 350.2 °C at 760 mmHg; (15)Vapour Pressure: 1.66E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](c1cc(OC)ccc1)N
(2)InChI: InChI=1/C10H13NO3/c1-14-8-4-2-3-7(5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
(3)InChIKey: FGMPGCPZEOXEES-VIFPVBQEBE
(4)Std. InChI: InChI=1S/C10H13NO3/c1-14-8-4-2-3-7(5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
(5)Std. InChIKey: FGMPGCPZEOXEES-VIFPVBQESA-N