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| CAS No.: | 136315-70-3 |
|---|---|
| Name: | CIS-2-(TERT-BUTOXYCARBONYLAMINO)-1-CYCLOPENTANECARBOXYLIC ACID, 98 |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C11H19NO4 |
| Molecular Weight: | 229.276 |
| Synonyms: | Cyclopentanecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, cis-(?à)-;Cyclopentanecarboxylic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-, cis-;cis-2-(tert-Butoxycarbonylamino)cyclopentane-1-carboxylic acid;cis-2-(tert-Butoxycarbonylamino)cyclopentanecarboxylic acid; |
| Density: | 1.15 g/cm3 |
| Melting Point: | 90-94 °C |
| Boiling Point: | 382.5 °C at 760 mmHg |
| Flash Point: | 185.1 °C |
| PSA: | 75.63000 |
| LogP: | 2.15530 |
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Specification
The Cyclopentanecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1R,2S)-rel- is an organic compound with the formula C11H19NO4. The systematic name of this chemical is (1R,2S)-2-[(tert-butoxycarbonyl)amino]cyclopentanecarboxylic acid. With the CAS registry number 136315-70-3, it is also named as cis-2-tert-Butoxycarbonylamino-cyclopentanecarboxylic acid. Besides, it should be stored in a closed cool and dry place.
Physical properties about Cyclopentanecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1R,2S)-rel- are: (1)ACD/LogP: 1.47; (2)ACD/LogD (pH 5.5): 0.41; (3)ACD/LogD (pH 7.4): -1.39; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.93; (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: 1.495; (13)Molar Refractivity: 58.05 cm3; (14)Molar Volume: 199 cm3; (15)Polarizability: 23.01×10-24cm3; (16)Surface Tension: 42.8 dyne/cm; (17)Density: 1.15 g/cm3; (18)Flash Point: 185.1 °C; (19)Enthalpy of Vaporization: 69.27 kJ/mol; (20)Boiling Point: 382.5 °C at 760 mmHg; (21)Vapour Pressure: 6.55E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H]1[C@H](C(=O)O)CCC1
(2)InChI: InChI=1/C11H19NO4/c1-11(2,3)16-10(15)12-8-6-4-5-7(8)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m1/s1
(3)InChIKey: BUEPEVBYNBQNED-SFYZADRCBG
(4)Std. InChI: InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8-6-4-5-7(8)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m1/s1
(5)Std. InChIKey: BUEPEVBYNBQNED-SFYZADRCSA-N