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CAS No.: | 18085-39-7 |
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Name: | 1-CYCLOHEXYL-2-AZETIDINECARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C10H17NO2 |
Molecular Weight: | 183.25 |
Synonyms: | 1-Cyclohexyl-2-azetidinecarboxylicacid;NSC 135863;1-Cyclohexylazetidine-2-carboxylic acid; |
Density: | 1.186 g/cm3 |
Boiling Point: | 310.1 °C at 760 mmHg |
Flash Point: | 141.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 40.54000 |
LogP: | 1.41590 |
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The 2-Azetidinecarboxylicacid, 1-cyclohexyl-, with the CAS registry number 18085-39-7, is also known as 1-Cyclohexyl-2-azetidinecarboxylicacid. This chemical's molecular formula is C10H17NO2 and molecular weight is 183.25. What's more, its systematic name is 1-cyclohexylazetidine-2-carboxylic acid.
Physical properties of 2-Azetidinecarboxylicacid, 1-cyclohexyl- are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.55; (12)Molar Refractivity: 49.22 cm3; (13)Molar Volume: 154.3 cm3; (14)Polarizability: 19.51×10-24cm3; (15)Surface Tension: 52.6 dyne/cm; (16)Density: 1.186 g/cm3; (17)Flash Point: 141.4 °C; (18)Enthalpy of Vaporization: 60.59 kJ/mol; (19)Boiling Point: 310.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000136 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(CC1)N2CCC2C(=O)O
(2)InChI: InChI=1S/C10H17NO2/c12-10(13)9-6-7-11(9)8-4-2-1-3-5-8/h8-9H,1-7H2,(H,12,13)
(3)InChIKey: BFUBLGGCORUBBM-UHFFFAOYSA-N