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CAS No.: | 71830-08-5 |
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Name: | (1R,3S)-3-Aminocyclopentanecarboxylic acid |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C6H11NO2 |
Molecular Weight: | 129.159 |
Synonyms: | Cyclopentanecarboxylicacid, 3-amino-, (1R-cis)-;(-)-cis-3-Aminocyclopentanecarboxylic acid;(1R,3S)-3-Aminocyclopentanecarboxylic acid; |
Density: | 1.19 g/cm3 |
Melting Point: | 172.1 °C |
Boiling Point: | 264.7 °C at 760 mmHg |
Flash Point: | 113.9 °C |
Solubility: | Slightly soluble in water. |
Appearance: | off-white to beige crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-37/39 |
PSA: | 63.32000 |
LogP: | 0.89870 |
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The (1R,3S)-3-Aminocyclopentanecarboxylic acid, with the CAS registry number 71830-08-5, is also known as Cyclopentanecarboxylic acid, 3-amino-, (1R,3S)-. It belongs to the product categories of Aminoacid; Unusual Amino Acids; API Intermediates. This chemical's molecular formula is C6H11NO2 and formula weight is 129.16. What's more, this chemical is off-white to beige crystalline powder.
Physical properties about (1R,3S)-3-Aminocyclopentanecarboxylic acid are: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -2.98; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 32.71 cm3; (15)Molar Volume: 108.5 cm3; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.19 g/cm3; (18)Melting Point 172.1 °C; (19)Flash Point: 113.9 °C; (20)Enthalpy of Vaporization: 55.33 kJ/mol; (21)Boiling Point: 264.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00278 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]1C[C@@H](N)CC1
(2)InChI: InChI=1/C6H11NO2/c7-5-2-1-4(3-5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m1/s1
(3)InChIKey: MLLSSTJTARJLHK-UHNVWZDZBF