Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
N-Boc-morpholine-3-carboxylic acid |
EINECS | N/A |
CAS No. | 212650-43-6 | Density | 1.23 g/cm3 |
PSA | 76.07000 | LogP | 0.64480 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H17NO5 | Boiling Point | 369.5 °C at 760 mmHg |
Molecular Weight | 231.249 | Flash Point | 177.3 °C |
Transport Information | N/A | Appearance | solid |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-(tert-Butoxycarbonyl)morpholine-3-carboxylicacid; |
Article Data | 10 |
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