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| CAS No.: | 22264-16-0 |
|---|---|
| Name: | 1-Amino-cyclobutanecarboxylic acid |
| Molecular Structure: | |
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|
|
| Formula: | C5H9NO2 |
| Molecular Weight: | 115.13 |
| Synonyms: | Acide 1-aminocyclobutanecarboxylique; |
| EINECS: | 1312995-182-4 |
| Density: | 1.541g/cm3 |
| Melting Point: | 261 °C (dec.)(lit.) |
| Boiling Point: | 241.1 °C at 760 mmHg |
| Flash Point: | 99.6 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 63.32000 |
| LogP: | 0.65270 |
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Specification
The 1-Amino-cyclobutanecarboxylic acid, with the CAS registry number of 22264-16-0, is also known as Acide 1-aminocyclobutanecarboxylique. This chemical's molecular formula is C5H9NO2 and molecular weight is 115.13. What's more, its IUPAC name is 1-Aminocyclobutane-1-carboxylic acid.
Physical properties about the 1-Amino-cyclobutanecarboxylic acid are: (1)ACD/LogP: -0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.12; (4)ACD/LogD (pH 7.4): -3.12; (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: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 28.01 cm3; (15)Molar Volume: 89.2 cm3; (16)Surface Tension: 60.4 dyne/cm; (17)Density: 1.29 g/cm3; (18)Flash Point: 99.6 °C; (19)Enthalpy of Vaporization: 52.65 kJ/mol; (20)Boiling Point: 241.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0122 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing. Besides, it is harmful if swallowed.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C1(N)CCC1
(2) InChI: InChI=1/C5H9NO2/c6-5(4(7)8)2-1-3-5/h1-3,6H2,(H,7,8)
(3) InChIKey: FVTVMQPGKVHSEY-UHFFFAOYAS