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| CAS No.: | 28861-00-9 |
|---|---|
| Name: | Hydantoic acid |
| Molecular Structure: | |
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| Formula: | C13H18N2O5 |
| Molecular Weight: | 282.30 |
| Synonyms: | Alanine,N-carbamoyl-3-(3,4-dimethoxyphenyl)-2-methyl-, L- (8CI);L-4-(3,4-Dimethoxybenzyl)-4-methylhydantoic acid;L-a-(3,4-Dimethoxybenzyl)-a-methylhydantoic acid;L-a-Methyl-a-ureido-b-(3,4-dimethoxyphenyl)propionicacid; |
| Density: | 1.26 g/cm3 |
| Boiling Point: | 463.481 °C at 760 mmHg |
| Flash Point: | 234.105 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 110.88000 |
| LogP: | 1.84910 |
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Specification
The L-Tyrosine,N-(aminocarbonyl)-3-methoxy-O,a-dimethyl- is an organic compound with the formula C13H18N2O5. The systematic name of this chemical is (2S)-3-(3,4-dimethoxyphenyl)-2-methyl-2-ureido-propanoic acid. With the CAS registry number 28861-00-9, it is also named as Hydantoic acid. The product's category is Intermediate of Carbidopa.
Physical properties about L-Tyrosine,N-(aminocarbonyl)-3-methoxy-O,a-dimethyl- are: (1)ACD/LogP: 0.62 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 7; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 110.88 Å2; (10)Index of Refraction: 1.553; (11)Molar Refractivity: 71.748 cm3; (12)Molar Volume: 224.063 cm3; (13)Polarizability: 28.443×10-24cm3; (14)Surface Tension: 49.897 dyne/cm; (15)Density: 1.26 g/cm3; (16)Flash Point: 234.105 °C; (17)Enthalpy of Vaporization: 76.358 kJ/mol; (18)Boiling Point: 463.481 °C at 760 mmHg.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: C[C@](Cc1ccc(c(c1)OC)OC)(C(=O)O)NC(=O)N
(2)InChI: InChI=1/C13H18N2O5/c1-13(11(16)17,15-12(14)18)7-8-4-5-9(19-2)10(6-8)20-3/h4-6H,7H2,1-3H3,(H,16,17)(H3,14,15,18)/t13-/m0/s1
(3)InChIKey: ZAWWRCDFZPMIQT-ZDUSSCGKBB
(4)Std. InChI: InChI=1S/C13H18N2O5/c1-13(11(16)17,15-12(14)18)7-8-4-5-9(19-2)10(6-8)20-3/h4-6H,7H2,1-3H3,(H,16,17)(H3,14,15,18)/t13-/m0/s1
(5)Std. InChIKey: ZAWWRCDFZPMIQT-ZDUSSCGKSA-N