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CAS No.: | 436099-69-3 |
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Name: | 4-(2-CYCLOHEX-1-ENYL-ETHYLAMINO)-BUTAN-1-OL |
Molecular Structure: | |
Formula: | C12H24NO |
Molecular Weight: | 197.32 |
Synonyms: | ZINC04290973; |
Boiling Point: | 317.8 °C at 760 mmHg |
Flash Point: | 94.4 °C |
Hazard Symbols: | Xi |
PSA: | 32.26000 |
LogP: | 2.62990 |
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The 2-(1-Cyclohexenyl)ethyl-(4-hydroxybutyl)azanium, with the CAS registry number 436099-69-3, is also known as ZINC04290973. This chemical's molecular formula is C12H24NO and molecular weight is 198.3245. Its IUPAC name is called 2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)azanium. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 2-(1-Cyclohexenyl)ethyl-(4-hydroxybutyl)azanium: (1)ACD/LogP: 2.38; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 8; (5)Polar Surface Area: 9.23 Å2; (6)Flash Point: 94.4 °C; (7)Enthalpy of Vaporization: 64.83 kJ/mol; (8)Boiling Point: 317.8 °C at 760 mmHg; (9)Vapour Pressure: 3.13E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(=CC1)CC[NH2+]CCCCO
(2)InChI: InChI=1S/C12H23NO/c14-11-5-4-9-13-10-8-12-6-2-1-3-7-12/h6,13-14H,1-5,7-11H2/p+1
(3)InChIKey: ZUCMDRAQTBQWBN-UHFFFAOYSA-O