| Identification | |
| Name: | 3,4-Morpholinedicarboxylicacid, 4-(1,1-dimethylethyl) ester, (3S)- |
| Synonyms: | (S)-N-Boc-morpholine-3-carboxylic acid;(S)-Morpholine-3,4-dicarboxylic acid 4-tert-butyl ester;4-(tert-Butoxycarbonyl)morpholine-3-(S)-carboxylic acid;4-Boc-3(S)-morpholinecarboxylic acid; |
| CAS: | 783350-37-8 |
| Molecular Formula: | C10H17 N O5 |
| Molecular Weight: | 231.25 |
| InChI: | InChI=1/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-6-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.23g/cm3 |
| Refractive index: | 1.492 |
| Specification: |
The 4-Boc-3(S)-morpholinecarboxylic acid with cas registry number of 783350-37-8, is also called (S)-N-Boc-morpholine-3-carboxylic acid ; 4-(tert-Butoxycarbonyl)morpholine-3-(S)-carboxylic acid ; 4-Boc-3(S)-morpholinecarboxylic acid . Physical properties of 4-Boc-3(S)-morpholinecarboxylic acid :(1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.74; (4)ACD/LogD (pH 7.4): -3.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 54.54 cm3; (15)Molar Volume: 187.9 cm3; (16)Polarizability: 21.62×10-24cm3; (17)Surface Tension: 45.9 dyne/cm; (18)Enthalpy of Vaporization: 67.68 kJ/mol; (19)Vapour Pressure: 1.8E-06 mmHg at 25°C . Its storage temperature is 0-5°C . You can still convert the following datas into molecular structure: (1)SMILES:O=C(OC(C)(C)C)N1[C@H](C(=O)O)COCC1; (2)InChI:InChI=1/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-6-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1; (3)InChIKey:KVXXEKIGMOEPSA-ZETCQYMHBJ; (4)Std. InChI:InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-6-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1; (5)Std. InChIKey:KVXXEKIGMOEPSA-ZETCQYMHSA-N . |
| Safety Data | |
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