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| CAS No.: | 15785-52-1 |
|---|---|
| Name: | Cyclopropylalanine |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C6H11NO2 |
| Molecular Weight: | 129.159 |
| Synonyms: | Cyclopropanepropanoicacid, a-amino-, (à)-;Cyclopropanepropionic acid, a-amino-, DL- (8CI);Cyclopropanealanine;3-Cyclopropylalanine; |
| Density: | 1.218 g/cm3 |
| Boiling Point: | 258 °C at 760 mmHg |
| Flash Point: | 109.9 °C |
| PSA: | 63.32000 |
| LogP: | 0.89870 |
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Specification
The Cyclopropylalanine, with the CAS registry number 15785-52-1, is also known as Cyclopropanepropionic acid, a-amino-, DL- (8CI). This chemical's molecular formula is C6H11NO2 and molecular weight is 129.157. What's more, its systematic name is 3-Cyclopropylalanine.
Physical properties about Cyclopropylalanine are: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.28; (4)ACD/LogD (pH 7.4): -2.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 32.85 cm3; (15)Molar Volume: 105.9 cm3; (16)Polarizability: 13.02×10-24 cm3; (17)Surface Tension: 57.7 dyne/cm; (18)Density: 1.218 g/cm3; (19)Flash Point: 109.9 °C; (20)Enthalpy of Vaporization: 54.57 kJ/mol; (21)Boiling Point: 258 °C at 760 mmHg; (22)Vapour Pressure: 0.00425 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(N)CC1CC1
(2) InChI: InChI=1/C6H11NO2/c7-5(6(8)9)3-4-1-2-4/h4-5H,1-3,7H2,(H,8,9)
(3) InChIKey: XGUXJMWPVJQIHI-UHFFFAOYAO