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CAS No.: | 91469-55-5 |
---|---|
Name: | 1-Amino-3-cyclopentene hydrochloride |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C5H9N.HCl |
Molecular Weight: | 119.594 |
Synonyms: | 3-Cyclopenten-1-amine,hydrochloride (9CI);3-Cyclopenten-1-ylamine, hydrochloride (7CI); |
Boiling Point: | 105.4 °C at 760 mmHg |
Flash Point: | 16.2 °C |
Hazard Symbols: | Xn |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 26.02000 |
LogP: | 2.16600 |
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The 3-Cyclopenten-1-amine,hydrochloride (1:1), with CAS registry number 91469-55-5, belongs to the following product categories: (1)Amines; (2)Ring Systems. It has the systematic name of cyclopent-3-en-1-amine hydrochloride. And the chemical formula of this chemical is C5H9N.HCl.
Physical properties of 3-Cyclopenten-1-amine,hydrochloride (1:1): (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.84; (4)ACD/LogD (pH 7.4): -2.11; (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: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Enthalpy of Vaporization: 34.43 kJ/mol; (14)Vapour Pressure: 29.6 mmHg at 25°C.
Uses of 3-Cyclopenten-1-amine,hydrochloride (1:1): it can be used to produce N-(3-cyclopenten-1-yl)benzamide. This reaction will need reagents Et3N, DMAP and solvent CH2Cl2. The reaction time is 16 hour(s) with reaction temperature of 20 ℃. The yield is about 83%.
When you are using this chemical, please be cautious about it as the following:
The 3-Cyclopenten-1-amine,hydrochloride (1:1) 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.NC1C/C=C\C1
(2)InChI: InChI=1/C5H9N.ClH/c6-5-3-1-2-4-5;/h1-2,5H,3-4,6H2;1H
(3)InChIKey: UUABBBRHNAYHLO-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5H9N.ClH/c6-5-3-1-2-4-5;/h1-2,5H,3-4,6H2;1H
(5)Std. InChIKey: UUABBBRHNAYHLO-UHFFFAOYSA-N