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Cas Database |
| Name |
tert-Butyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate |
EINECS | N/A |
| CAS No. | 714971-28-5 | Density | 1.118g/cm3 |
| PSA | 59.00000 | LogP | 0.55250 |
| Solubility | Slightly soluble in water. | Melting Point |
80 oC |
| Formula | C10H19NO4 | Boiling Point | 320.7 °C at 760 mmHg |
| Molecular Weight | 217.265 | Flash Point | 147.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(S)-3-Hydroxymethylmorpholine-4-carboxylicacid tert-butyl ester;(S)-n-boc-3-(hydroxymethyl)morpholine;3(S)-Hydroxymethyl-4-bocmorpholine; |
Article Data | 7 |
tert-Butyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate Specification
The tert-Butyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate with cas registry number of 714971-28-5, is also called (S)-n-boc-3-(hydroxymethyl)morpholine; 3(S)-Hydroxymethyl-4-bocmorpholine.The tert-Butyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate belongs to the following product categorie: pharmacetical.
Physical properties of tert-Butyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.9; (8)ACD/KOC (pH 7.4): 17.9; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 48 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 54.66 cm3; (15)Molar Volume: 194.3 cm3; (16)Polarizability: 21.66×10-24cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Enthalpy of Vaporization: 65.19 kJ/mol; (19)Vapour Pressure: 2.53E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure: (1)SMILES:O=C(OC(C)(C)C)N1[C@H](COCC1)CO; (2)InChI:InChI=1/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1; (3)InChIKey:AIQSXVGBMCJQAG-QMMMGPOBBM; (4)Std. InChI:; (5)InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1; (6)Std. InChIKey:AIQSXVGBMCJQAG-QMMMGPOBSA-N.
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