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CAS No.: | 18942-50-2 |
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Name: | Boc-O-tert-butyl-L-serine dicyclohexylamine salt |
Molecular Structure: | |
Formula: | C12H23NO5.C12H23N |
Molecular Weight: | 442.64 |
Synonyms: | Boc-Ser(tBu)-OH.DCHA;Boc-Ser(tBu)-OH dicyclohexylamine salt; |
EINECS: | 242-793-8 |
Melting Point: | 161-164 °C |
Boiling Point: | 571.1 °C at 760 mmHg |
Flash Point: | 299.2 °C |
Safety: | 22-24/25 |
PSA: | 96.89000 |
LogP: | 5.80260 |
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The Boc-O-tert-butyl-L-serine dicyclohexylamine salt, with the CAS registry number 18942-50-2, has the systematic name of N-cyclohexylcyclohexanaminium (2S)-3-tert-butoxy-2-[(tert-butoxycarbonyl)amino]propanoate. It should be stored at 2-8°C, and belongs to the product categories: Amino Acid Derivatives; Boc-Amino Acids and Derivative. The molecular formula of the chemical is C12H23NO5.C12H23N. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of Boc-O-tert-butyl-L-serine dicyclohexylamine salt are as followings: (1)ACD/LogP: 6.34; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 7; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 78.9 Å2; (7)Flash Point: 299.2 °C; (8)Enthalpy of Vaporization: 93.6 kJ/mol; (9)Boiling Point: 571.1 °C at 760 mmHg; (10)Vapour Pressure: 1.56E-14 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-]C(=O)[C@@H](NC(=O)OC(C)(C)C)COC(C)(C)C.C2C([NH2+]C1CCCCC1)CCCC2
(2)InChI: InChI=1/C12H23NO5.C12H23N/c1-11(2,3)17-7-8(9(14)15)13-10(16)18-12(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8H,7H2,1-6H3,(H,13,16)(H,14,15);11-13H,1-10H2/t8-;/m0./s1
(3)InChIKey: AIEUUHIXSUNTGV-QRPNPIFTBZ