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(S)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid

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Name

(S)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid

EINECS N/A
CAS No. 868689-63-8 Density 1.23 g/cm3
PSA 76.07000 LogP 0.64480
Solubility N/A Melting Point 127-134 °C
Formula C10H17NO5 Boiling Point 369.5 °C at 760 mmHg
Molecular Weight 231.25 Flash Point 177.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 868689-63-8 ((S)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid) Hazard Symbols N/A
Synonyms

(S)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid;

Article Data 6

(S)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid Specification

The systematic name of (S)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid is (2S)-4-(tert-butoxycarbonyl)morpholine-2-carboxylic acid. With the CAS registry number 868689-63-8, it is also named as (2S)-2,4-Morpholinedicarboxylic acid 4-(1,1-dimethylethyl) ester. The product's molecular formula is C10H17NO5 and its molecular weight is 231.25. 

The other characteristics of (S)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid can be summarized as: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.02; (4)ACD/LogD (pH 7.4): -3.38; (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)Melting point: 127-134 °C; (21)Enthalpy of Vaporization: 67.68 kJ/mol; (22)Boiling Point: 369.5 °C at 760 mmHg; (23)Vapour Pressure: 1.8E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:O=C(OC(C)(C)C)N1C[C@H](OCC1)C(=O)O
InChI:InChI=1/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKey:LGWMTRPJZFEWCX-ZETCQYMHBR
Std. InChI:InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1 Std. InChIKey:LGWMTRPJZFEWCX-ZETCQYMHSA-N

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