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CAS No.: | 22032-65-1 |
---|---|
Name: | methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate |
Article Data: | 51 |
Molecular Structure: | |
Formula: | C12H14N2O2 |
Molecular Weight: | 218.255 |
Synonyms: | Tryptophan,methyl ester, D- (8CI);(R)-2-Amino-3-(1H-indol-3-yl)propionic acid methylester;(R)-Methyl 2-amino-3-(1H-indol-3-yl)propanoate;(R)-Tryptophan methylester;Methyl D-tryptophanate; |
Density: | 1.245 g/cm3 |
Boiling Point: | 390.6 °C at 760 mmHg |
Flash Point: | 190 °C |
PSA: | 68.11000 |
LogP: | 1.91100 |
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The CAS register number of D-Tryptophan, methylester is 22032-65-1. It also can be called as (R)-Methyl 2-amino-3-(1H-indol-3-yl)propanoate and the systematic name about this chemical is methyl D-tryptophanate. The molecular formula about this chemical is C12H14N2O2 and the molecular weight is 218.25536.
Physical properties about D-Tryptophan, methylester are: (1)ACD/LogP: 1.19; (2)#H bond acceptors: 4; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 34.47 Å2; (6)Index of Refraction: 1.633; (7)Molar Refractivity: 62.61 cm3; (8)Molar Volume: 175.2 cm3; (9)Polarizability: 24.82x10-24cm3; (10)Surface Tension: 55.3 dyne/cm; (11)Density: 1.245 g/cm3; (12)Flash Point: 190 °C; (13)Enthalpy of Vaporization: 64.01 kJ/mol; (14)Boiling Point: 390.6 °C at 760 mmHg; (15)Vapour Pressure: 2.62E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@H](N)Cc2c1ccccc1nc2
(2)InChI: InChI=1/C12H14N2O2/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-5,7,10,14H,6,13H2,1H3/t10-/m1/s1
(3)InChIKey: KCUNTYMNJVXYKZ-SNVBAGLBBE
(4)Std. InChI: InChI=1S/C12H14N2O2/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-5,7,10,14H,6,13H2,1H3/t10-/m1/s1
(5)Std. InChIKey: KCUNTYMNJVXYKZ-SNVBAGLBSA-N