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CAS No.: | 21752-36-3 |
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Name: | (S)-(-)-N-(1-PHENYLETHYL)PHTHALAMIC ACID |
Molecular Structure: | |
Formula: | C16H15NO3 |
Molecular Weight: | 269.3 |
Synonyms: | Benzoicacid, 2-[[(1-phenylethyl)amino]carbonyl]-, (S)-;Phthalamic acid, N-(a-methylbenzyl)-, (S)- (8CI);(-)-N-(1-Phenylethyl)phthalamic acid;(-)-N-(a-Methylbenzyl)phthalic acid monoamide;(S)-(-)-N-(a-Methylbenzyl)phthalic acidmonoamide; |
EINECS: | 244-571-6 |
Density: | 1.223 g/cm3 |
Melting Point: | 128-130 °C |
Boiling Point: | 500.263 °C at 760 mmHg |
Flash Point: | 256.35 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 66.40000 |
LogP: | 3.26670 |
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This chemical is called Benzoic acid, 2-[[[(1S)-1-phenylethyl]amino]carbonyl]-, and it can also be named as (S)-o-(((1-Phenylethyl)amino)carbonyl)benzoic acid. With the molecular formula of C16H15NO3, its product categories are Chiral Building Blocks; Glycidyl Compounds, etc. (Chiral); Synthetic Organic Chemistry. The CAS registry number of this chemical is 21752-36-3. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Benzoic acid, 2-[[[(1S)-1-phenylethyl]amino]carbonyl]- can be summarised as followings: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): -0.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 75.92 cm3; (15)Molar Volume: 220.2 cm3; (16)Polarizability: 30.1×10-24cm3; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.222 g/cm3; (19)Flash Point: 256.3 °C; (20)Enthalpy of Vaporization: 80.96 kJ/mol; (21)Boiling Point: 500.3 °C at 760 mmHg; (22)Vapour Pressure: 7.92E-11 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. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2ccccc2C(=O)N[C@H](c1ccccc1)C
2.InChI: InChI=1/C16H15NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/t11-/m0/s1
3.InChIKey: VCFKXWGKKDZMPO-NSHDSACABV