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CAS No.: | 27514-07-4 |
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Name: | 7-Azabicyclo[2,2,1]heptane hydrochloride |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C6H11N.HCl |
Molecular Weight: | 133.621 |
Synonyms: | 7-Azabicyclo[2.2.1]heptane,hydrochloride (8CI,9CI); |
Boiling Point: | 144.1 °C at 760 mmHg |
Flash Point: | 30.6 °C |
Hazard Symbols: | Xn |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 12.03000 |
LogP: | 2.03160 |
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The 7-Azabicyclo[2,2,1]heptane hydrochloride, with cas registry number 27514-07-4, belongs to the following product categories: pharmacetical. It has the systematic name of 7-azoniabicyclo[2.2.1]heptane chloride.
Physical properties about this chemical are: (1)ACD/LogP: 0.79; (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: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 12.03 Å2; (11)Enthalpy of Vaporization: 38.12 kJ/mol; (12)Vapour Pressure: 5.17 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 7-Azabicyclo[2,2,1]heptane hydrochloride irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].[NH2+]1C2CCC1CC2
(2)InChI: InChI=1/C6H11N.ClH/c1-2-6-4-3-5(1)7-6;/h5-7H,1-4H2;1H
(3)InChIKey: JQHCKZLQJDVZPH-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H11N.ClH/c1-2-6-4-3-5(1)7-6;/h5-7H,1-4H2;1H
(5)Std. InChIKey: JQHCKZLQJDVZPH-UHFFFAOYSA-N