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| CAS No.: | 83825-42-7 |
|---|---|
| Name: | BOC-L-3-THIENYLALANINE DCHA SALT |
| Article Data: | 3 |
| Molecular Structure: | |
|
|
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| Formula: | C12H17 N O4 S |
| Molecular Weight: | 271.337 |
| Synonyms: | 3-Thiophenepropanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(S)-; (2S)-2-[(tert-Butoxycarbonyl)amino]-3-(thien-3-yl)propionic acid |
| Density: | 1.243g/cm3 |
| Boiling Point: | 434.7 °C at 760 mmHg |
| Flash Point: | 216.7 °C |
| Appearance: | yellow viscous liquid. |
| Hazard Symbols: |
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 103.87000 |
| LogP: | 2.65940 |
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Chemistry
IUPAC Name: N-cyclohexylcyclohexanamine ; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-ylpropanoic acid
Empirical Formula: C24H40N2O4S
Molecular Weight: 452.6504g/mol
Structure of 3-Thiophenepropanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aS)- (CAS NO.83825-42-7):
Flash Point: 319.9 °C
Enthalpy of Vaporization: 94.63 kJ/mol
Boiling Point: 605.3 °C at 760 mmHg
Vapour Pressure: 1.67E-15 mmHg at 25°C
Product Categories: Amino Acids;Phenylalanine analogs and other aromatic alpha amino acids;a-amino
Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CSC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2
Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CSC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2
InChI: InChI=1S/C12H17NO4S.C12H23N/c1-12(2,3)17-11(16)13-9(10(14)15)6-8-4-5-18-7-8;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-5,7,9H,6H2,1-3H3,(H,13,16)(H,14,15);11-13H,1-10H2/t9-;/m0./s1
InChIKey: FNTVEJPWKBETJW-FVGYRXGTSA-N
Safety Profile
Hazard Codes: 
Xi
WGK Germany: 3
Specification
3-Thiophenepropanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aS)- , its cas register number is 83825-42-7. It also can be called 3-Thien-3-yl-D-alanine, N-BOC protected dicylohexylamine salt ; 3-Thien-3-yl-L-alanine, N-BOC protected dicylohexylamine salt ; Boc-3-(3-thienyl)-L-alanine dicyclohexylamine salt ; Boc-beta-(3-thienyl)-Ala-OH dicyclohexylamine salt ; Boc-L-3-Thienylalanine dicyclohexylamine salt ; Boc-L-3-Thienylalanine-DCHA ; Dicycloammonium thien-3-yl-D-alanine, N-BOC protected .