CAS No.18942-50-2,Boc-O-tert-butyl-L-serine dicyclohexylamine salt Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18942-50-2
Name:	Boc-O-tert-butyl-L-serine dicyclohexylamine salt

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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Specification

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