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Cas Database |
| Name |
Acetic acid,2-amino-2-cyano-, ethyl ester |
EINECS | N/A |
| CAS No. | 32683-02-6 | Density | 1.144 g/cm3 |
| PSA | 76.11000 | LogP | 0.10068 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H8N2O2 | Boiling Point | 202.9 °C at 760 mmHg |
| Molecular Weight | 128.131 | Flash Point | 76.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Aceticacid, aminocyano-, ethyl ester (9CI);Glycine, 2-cyano-, ethyl ester (8CI);(Amino)(cyano)acetic acid ethyl ester;2-Amino-2-cyanoacetic acid ethyl ester;Ethyl 2-amino-2-cyanoacetate;Ethyl aminocyanoacetate;Ethyl a-amino-a-cyanoacetate; |
Article Data | 1 |
Acetic acid,2-amino-2-cyano-, ethyl ester Specification
The Acetic acid,2-amino-2-cyano-, ethyl ester with CAS registry number of 32683-02-6 is also known as Ethyl 2-amino-2-cyanoacetate. The systematic name is Ethyl 3-nitriloalaninate. In addition, the formula is C5H8N2O2 and the molecular weight is 128.13.
Physical properties about Acetic acid,2-amino-2-cyano-, ethyl ester are: (1)ACD/LogP: -0.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 53.33Å2; (7)Index of Refraction: 1.455; (8)Molar Refractivity: 30.39 cm3; (9)Molar Volume: 111.9 cm3; (10)Polarizability: 12.04×10-24cm3; (11)Surface Tension: 45.2 dyne/cm; (12)Density: 1.144 g/cm3; (13)Flash Point: 76.5 °C; (14)Enthalpy of Vaporization: 43.91 kJ/mol; (15)Boiling Point: 202.9 °C at 760 mmHg; (16)Vapour Pressure: 0.286 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: N#CC(N)C(=O)OCC
2. InChI: InChI=1/C5H8N2O2/c1-2-9-5(8)4(7)3-6/h4H,2,7H2,1H3
3. InChIKey: JYGRVMQGWVVHJE-UHFFFAOYAC
4. Std. InChI: InChI=1S/C5H8N2O2/c1-2-9-5(8)4(7)3-6/h4H,2,7H2,1H3
5. Std. InChIKey: JYGRVMQGWVVHJE-UHFFFAOYSA-N
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