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| CAS No.: | 19427-28-2 |
|---|---|
| Name: | N-Formyl-L-aspartic acid |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C5H7NO5 |
| Molecular Weight: | 161.114 |
| Synonyms: | Asparticacid, N-formyl-, L- (8CI);N-Formyl-L-aspartic acid;N-Formylaspartic acid; |
| EINECS: | 243-047-4 |
| Density: | 1.508 g/cm3 |
| Melting Point: | 127.5-128 °C |
| Boiling Point: | 430.2 °C at 760 mmHg |
| Flash Point: | 214 °C |
| PSA: | 103.70000 |
| LogP: | -0.31290 |
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Specification
The CAS register number of N-Formyl-L-aspartic acid is 19427-28-2. It also can be called as L-Aspartic acid,N-formyl- and the IUPAC name about this chemical is (2S)-2-formamidobutanedioic acid. The molecular formula about this chemical is C5H7NO5 and molecular weight is 161.11.
Physical properties about N-Formyl-L-aspartic acid are: (1)ACD/LogP: -0.60; (2)ACD/LogD (pH 5.5): -3.98; (3)ACD/LogD (pH 7.4): -5.34; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 72.91Å2; (12)Index of Refraction: 1.512; (13)Molar Refractivity: 32.08 cm3; (14)Molar Volume: 106.8 cm3; (15)Polarizability: 12.71x10-24cm3; (16)Surface Tension: 69.8 dyne/cm; (17)Flash Point: 214 °C; (18)Enthalpy of Vaporization: 75.18 kJ/mol; (19)Boiling Point: 430.2 °C at 760 mmHg; (20)Vapour Pressure: 1.32E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](C(=O)O)NC=O
(2)InChI: InChI=1/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m0/s1
(3)InChIKey: MQUUQXIFCBBFDP-VKHMYHEABM
(4)Std. InChI: InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m0/s1
(5)Std. InChIKey: MQUUQXIFCBBFDP-VKHMYHEASA-N