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| CAS No.: | 102936-05-0 |
|---|---|
| Name: | (S)-(-)-2-(PHENYLCARBAMOYLOXY)PROPIONIC ACID |
| Molecular Structure: | |
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| Formula: | C10H11NO4 |
| Molecular Weight: | 209.20 |
| Synonyms: | Propanoicacid, 2-[[(phenylamino)carbonyl]oxy]-, (S)-; |
| Density: | 1.3±0.1 g/cm3 |
| Melting Point: | 150 °C (dec.)(lit.) |
| Boiling Point: | 324.7±25.0 °C at 760 mmHg |
| Flash Point: | 150.2±23.2 °C |
| Appearance: | white to off-white crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 75.63000 |
| LogP: | 1.78120 |
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Specification
The (S)-2-[(Phenylamino)carbonyloxy]propionic acid, with the CAS registry number 102936-05-0, is also known as Propanoicacid, 2-[[(phenylamino)carbonyl]oxy]-, (S)-. This chemical's molecular formula is C10H11NO4 and molecular weight is 209.20. What's more, its systematic name is (2S)-2-[(Phenylcarbamoyl)oxy]propanoic acid.
Physical properties of (S)-2-[(Phenylamino)carbonyloxy]propionic acid are: (1)ACD/LogP: 1.75±0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.06; (4)ACD/LogD (pH 7.4): -1.96; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.63 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 53.1±0.3 cm3; (15)Molar Volume: 156.9±3.0 cm3; (16)Polarizability: 21.0±0.5×10-24cm3; (17)Surface Tension: 56.1±3.0 dyne/cm; (18)Density: 1.3±0.1 g/cm3; (19)Flash Point: 150.2±23.2 °C; (20)Enthalpy of Vaporization: 59.8±3.0 kJ/mol; (21)Boiling Point: 324.7±25.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.7 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@H](C(=O)O)OC(=O)NC1=CC=CC=C1
(2)Std. InChI: InChI=1S/C10H11NO4/c1-7(9(12)13)15-10(14)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)(H,12,13)/t7-/m0/s1
(3)Std. InChIKey: HYIHYWQSOXTJFS-ZETCQYMHSA-N