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CAS No.: | 212650-43-6 |
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Name: | MORPHOLINE-3,4-DICARBOXYLIC ACID 4-TERT-BUTYL ESTER |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H17NO5 |
Molecular Weight: | 231.249 |
Synonyms: | 4-(tert-Butoxycarbonyl)morpholine-3-carboxylicacid; |
Density: | 1.23 g/cm3 |
Boiling Point: | 369.5 °C at 760 mmHg |
Flash Point: | 177.3 °C |
Appearance: | solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 76.07000 |
LogP: | 0.64480 |
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The 3,4-Morpholinedicarboxylicacid, 4-(1,1-dimethylethyl) ester, with CAS registry number 212650-43-6, belongs to the following product category: Pharmacetical. It has the systematic name of 4-(tert-butoxycarbonyl)morpholine-3-carboxylic acid. And the chemical formula of this chemical is C10H17NO5.
Physical properties of 3,4-Morpholinedicarboxylicacid, 4-(1,1-dimethylethyl) ester: (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)Density: 1.23 g/cm3; (19)Flash Point: 177.3 °C; (20)Enthalpy of Vaporization: 67.68 kJ/mol; (21)Boiling Point: 369.5 °C at 760 mmHg; (22)Vapour Pressure: 1.8E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 3,4-Morpholinedicarboxylicacid, 4-(1,1-dimethylethyl) ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1C(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)
(3)InChIKey: KVXXEKIGMOEPSA-UHFFFAOYAX
(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)
(5)Std. InChIKey: KVXXEKIGMOEPSA-UHFFFAOYSA-N