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CAS No.: | 151907-80-1 |
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Name: | (+)-(1R,4S)-N-BOC-4-AMINOCYCLOPENT-2-ENECARBOXYLIC ACID |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C11H17NO4 |
Molecular Weight: | 227.26 |
Synonyms: | 2-Cyclopentene-1-carboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1R-cis)-;(1R,4S)-4-(tert-Butoxycarbonylamino)cyclopent-2-ene-1-carboxylic acid; |
Density: | 1.181 g/cm3 |
Melting Point: | 152 °C |
Boiling Point: | 382.284 °C at 760 mmHg |
Flash Point: | 184.999 °C |
Appearance: | off-white crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 75.63000 |
LogP: | 1.93130 |
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The (1R,4S)-4-[(tert-butoxycarbonyl)amino]cyclopent-2-ene-1-carboxylic acid is an organic compound with the formula C11H17NO4. With the CAS registry number 151907-80-1, its IUPAC name is (1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylic acid. It belongs to product categories Unusual Amino Acids; Alicyclic Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. Besides, it's off-white crystalline powder.
Physical properties about (1R,4S)-4-[(tert-butoxycarbonyl)amino]cyclopent-2-ene-1-carboxylic acid are: (1)ACD/LogP: 1.12; (2)ACD/LogD (pH 5.5): -0.22; (3)ACD/LogD (pH 7.4): -1.99; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.41; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 55.84 Å2; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 57.96 cm3; (14)Molar Volume: 192.3 cm3; (15)Polarizability: 22.97×10-24 cm3; (16)Surface Tension: 44.4 dyne/cm; (17)Density: 1.18 g/cm3; (18)Flash Point: 185 °C; (19)Enthalpy of Vaporization: 69.24 kJ/mol; (20)Boiling Point: 382.3 °C at 760 mmHg; (21)Vapour Pressure: 6.65E-07 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating 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]1\C=C/[C@@H](NC(=O)OC(C)(C)C)C1
2.InChI: InChI=1/C11H17NO4/c1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h4-5,7-8H,6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1
3.InChIKey: WOUNTSATDZJBLP-JGVFFNPUBN