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4-Morpholinecarboxylicacid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3S)- (714971-28-5)

Identification
Name:4-Morpholinecarboxylicacid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3S)-
Synonyms:(S)-3-Hydroxymethylmorpholine-4-carboxylicacid tert-butyl ester;(S)-n-boc-3-(hydroxymethyl)morpholine;3(S)-Hydroxymethyl-4-bocmorpholine;
CAS:714971-28-5
Molecular Formula: C10H19NO4
Molecular Weight: 217.26
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
Molecular Structure: (C10H19NO4) (S)-3-Hydroxymethylmorpholine-4-carboxylicacid tert-butyl ester;(S)-n-boc-3-(hydroxymethyl)morpholin...
Properties
Density:1.118
Refractive index:1.474
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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