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| CAS No.: | 85038-45-5 |
|---|---|
| Name: | 2-Chloropropionylglycine |
| Molecular Structure: | |
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| Formula: | C5H8ClNO3 |
| Molecular Weight: | 165.576 |
| Synonyms: | Glycine,N-(2-chloropropionyl)- (6CI);N-(2-Chloropropionyl)glycine; |
| Density: | 1.341 g/cm3 |
| Melting Point: | 104-106 °C |
| Boiling Point: | 401.5 °C at 760 mmHg |
| Flash Point: | 196.6 °C |
| PSA: | 66.40000 |
| LogP: | 0.20540 |
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Specification
The 2-Chloropropionylglycine is an organic compound with the formula C5H8ClNO3. The systematic name of this chemical is N-(2-chloropropanoyl)glycine. With the CAS registry number 85038-45-5, it is also named as glycine, N-(2-chloro-1-oxopropyl)-.
Physical properties about 2-Chloropropionylglycine are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 66.4 Å2; (9)Index of Refraction: 1.482; (10)Molar Refractivity: 35.21 cm3; (11)Molar Volume: 123.3 cm3; (12)Polarizability: 13.95×10-24cm3; (13)Surface Tension: 46.2 dyne/cm; (14)Density: 1.341 g/cm3; (15)Flash Point: 196.6 °C; (16)Enthalpy of Vaporization: 71.61 kJ/mol; (17)Boiling Point: 401.5 °C at 760 mmHg; (18)Vapour Pressure: 1.43E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(C)C(=O)NCC(O)=O
(2)InChI: InChI=1/C5H8ClNO3/c1-3(6)5(10)7-2-4(8)9/h3H,2H2,1H3,(H,7,10)(H,8,9)
(3)InChIKey: UBXUBYOEZMEUPZ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C5H8ClNO3/c1-3(6)5(10)7-2-4(8)9/h3H,2H2,1H3,(H,7,10)(H,8,9)
(5)Std. InChIKey: UBXUBYOEZMEUPZ-UHFFFAOYSA-N