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| CAS No.: | 151907-79-8 |
|---|---|
| Name: | (-)-(1S,4R)-N-Boc-4-aminocyclopent-2-enecarboxylic acid |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C11H17NO4 |
| Molecular Weight: | 227.26 |
| Synonyms: | 2-Cyclopentene-1-carboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1S-cis)-;(1S,4R)-(-)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid; |
| EINECS: | 634-898-6 |
| Density: | 1.18g/cm3 |
| Melting Point: | 152.9 °C |
| Boiling Point: | 382.3 °C at 760 mmHg |
| Flash Point: | 185 °C |
| Appearance: | beige to light brown crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 75.63000 |
| LogP: | 1.93130 |
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Specification
The (1S,4R)-4-[(tert-butoxycarbonyl)amino]cyclopent-2-ene-1-carboxylic acid, with CAS registry number 151907-79-8, belongs to the product categories of Unusual Amino Acids; API Intermediates; Alicyclic Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. It has the IUPAC name of (1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylic acid. Moreover, this chemical is beige to light brown crystalline powder. It should be sealed in the cool and dry place.
Other characteristics of the (1S,4R)-4-[(tert-butoxycarbonyl)amino]cyclopent-2-ene-1-carboxylic acid can be summarised as followings: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.22; (4)ACD/LogD (pH 7.4): -1.99; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.41; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 57.96 cm3; (15)Molar Volume: 192.3 cm3; (16)Polarizability: 22.97×10-24cm3; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 185 °C; (20)Enthalpy of Vaporization: 69.24 kJ/mol; (21)Boiling Point: 382.3 °C at 760 mmHg; (22)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(OC(C)(C)C)N[C@H]1\C=C/[C@@H](C(=O)O)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+/m1/s1
3.InChIKey: WOUNTSATDZJBLP-SFYZADRCBZ