Cbz-O-tert-butyl-L-threonine dicyclohexylamine supplier

Name
Z-THR(TBU)-OH DCHA
EINECS 241-040-0
CAS No. 16966-07-7
Article Data2
CAS DataBase
Density
Solubility
Melting Point 143-147 °C
Formula C₁₆H₂₃NO₅^.C₁₂H₂₃N
Boiling Point 636.3 °C at 760 mmHg
Molecular Weight 490.684
Flash Point 338.6 °C
Transport Information
Appearance
Safety
Risk Codes R36
Molecular Structure
Hazard Symbols Xn,Xi
Synonyms Z-Thr(tBu)-OH·DCHA;Z-O-tert·butyl-L-threoninedicyclohexylamine salt;N-Benzyloxycarbonyl-O-tert-butyl-L-threonine, compound with dicyclohexylamine;
PSA 96.89000
LogP 6.59280

Cbz-O-tert-butyl-L-threonine dicyclohexylamine Specification

The CAS register number of Cbz-O-tert-butyl-L-threonine dicyclohexylamine is 16966-07-7. It also can be called as N-Benzyloxycarbonyl-O-tert-butyl-L-threonine dicyclohexylamine and the IUPAC name about this chemical is N-cyclohexylcyclohexanamine; (2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoic acid. The molecular formula about this chemical is C₁₆H₂₃NO₅^.C₁₂H₂₃N and the molecular weight is 490.68.

Physical properties about Cbz-O-tert-butyl-L-threonine dicyclohexylamine are: (1)ACD/LogP: 7.30; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 7; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 96.89Å²; (7)Flash Point: 338.6 °C; (8)Enthalpy of Vaporization: 98.82 kJ/mol; (9)Boiling Point: 636.3 °C at 760 mmHg; (10)Vapour Pressure: 4.58E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C.C1CCCCC1NC2CCCCC2
(2)InChI: InChI=1/C16H23NO5.C12H23N/c1-11(22-16(2,3)4)13(14(18)19)17-15(20)21-10-12-8-6-5-7-9-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19);11-13H,1-10H2/t11?,13-;/m0./s1
(3)InChIKey: STGGZKHUOOUVBV-IYWIJXFJBC
(4)Std. InChI: InChI=1S/C16H23NO5.C12H23N/c1-11(22-16(2,3)4)13(14(18)19)17-15(20)21-10-12-8-6-5-7-9-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19);11-13H,1-10H2/t11?,13-;/m0./s1
(5)Std. InChIKey: STGGZKHUOOUVBV-IYWIJXFJSA-N

Product Name

Z-THR(TBU)-OH DCHA

Cbz-O-tert-butyl-L-threonine dicyclohexylamine Specification

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