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| CAS No.: | 215597-35-6 |
|---|---|
| Name: | 1-AMINO-CYCLOBUTANECARBOXYLIC ACID METHYL ESTER |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C6H11NO2 |
| Molecular Weight: | 129.159 |
| Synonyms: | 1-aminocyclobutyl carboxylic acid methyl ester; methyl 1-amino-cyclobutanecarboxylate; 1-AMINO-CYCLOBUTANECARBOXYLIC ACID METHYL ESTER; |
| Density: | 1.127 g/cm3 |
| Boiling Point: | 162.311 °C at 760 mmHg |
| Flash Point: | 36.303 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 52.32000 |
| LogP: | 0.74110 |
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Specification
The Cyclobutanecarboxylicacid, 1-amino-, methyl ester, with CAS registry number 215597-35-6, belongs to the following product categories: (1)Amineprimary; (2)Aminoacid; (3)Pharmacetical. It has the systematic name of methyl 1-aminocyclobutanecarboxylate. Besides this, it is also called 1-Amino-cyclobutanecarboxylic acid methyl ester. And the chemical formula of this chemical is C6H11NO2.
Physical properties of Cyclobutanecarboxylicacid, 1-amino-, methyl ester: (1)ACD/LogP: -0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.32; (4)ACD/LogD (pH 7.4): -0.64; (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): 6.42; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 32.85 cm3; (15)Molar Volume: 114.5 cm3; (16)Polarizability: 13.02×10-24cm3; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.127 g/cm3; (19)Flash Point: 36.3 °C; (20)Enthalpy of Vaporization: 39.89 kJ/mol; (21)Boiling Point: 162.3 °C at 760 mmHg; (22)Vapour Pressure: 2.18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C1(N)CCC1
(2)InChI: InChI=1/C6H11NO2/c1-9-5(8)6(7)3-2-4-6/h2-4,7H2,1H3
(3)InChIKey: SGXOPTPGZBLQAY-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H11NO2/c1-9-5(8)6(7)3-2-4-6/h2-4,7H2,1H3
(5)Std. InChIKey: SGXOPTPGZBLQAY-UHFFFAOYSA-N