(S)-N-Boc-2-Hydroxymethylmorpholine supplier

Name
(S)-N-Boc-2-Hydroxymethylmorpholine
EINECS 696-348-1
CAS No. 135065-76-8
Article Data20
CAS DataBase
Density 1.118 g/cm³
Solubility Slightly soluble in water.
Melting Point 60-62 °C
Formula C₁₀H₁₉NO₄
Boiling Point 320.7 °C at 760 mmHg
Molecular Weight 217.265
Flash Point 147.8 °C
Transport Information
Appearance White crystal powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Morpholinecarboxylicacid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (S)-;(2S)-2-(Hydroxymethyl)morpholine-4-carboxylicacid tert-butyl ester;(S)-2-Hydroxymethylmorpholine-4-carboxylic acidtert-butyl ester;
PSA 59.00000
LogP 0.55250

(S)-N-Boc-2-Hydroxymethylmorpholine Specification

The IUPAC name of 4-Morpholinecarboxylicacid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2S)- is tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate. With the CAS registry number 135065-76-8, it is also named as (S)-N-Boc-2-Hydroxymethylmorpholine. The product's categories are Pharmacetical; API Intermediates. Besides, it is white crystal powder. In addition, its molecular formula is C₁₀H₁₉NO₄ and molecular weight is 217.26.

The other characteristics of 4-Morpholinecarboxylicacid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2S)- can be summarized as: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.386; (4)ACD/LogD (pH 7.4): 0.386; (5)ACD/BCF (pH 5.5): 1.158; (6)ACD/BCF (pH 7.4): 1.158; (7)ACD/KOC (pH 5.5): 38.654; (8)ACD/KOC (pH 7.4): 38.654; (9)H bond acceptors: 5; (10)H bond donors: 1; (11)Freely Rotating Bonds: 4; (12)Polar Surface Area: 59 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 54.662 cm³; (15)Molar Volume: 194.312 cm³; (16)Polarizability: 21.67×10^-24cm³; (17)Surface Tension: 38.622 dyne/cm; (18)Density: 1.118 g/cm³; (19)Flash Point: 147.759 °C; (20)Melting point: 60-62 °C; (21)Enthalpy of Vaporization: 65.191 kJ/mol; (22)Boiling Point: 320.708 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:CC(C)(C)OC(=O)N1CCO[C@H](C1)CO
(2)InChI:InChI=1/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-8(6-11)7-12/h8,12H,4-7H2,1-3H3/t8-/m1/s1
(3)InChIKey:FJYBLMJHXRWDAQ-MRVPVSSYBV
(4)Std. InChI:InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-8(6-11)7-12/h8,12H,4-7H2,1-3H3/t8-/m1/s1
(5)Std. InChIKey:FJYBLMJHXRWDAQ-MRVPVSSYSA-N

Product Name

(S)-N-Boc-2-Hydroxymethylmorpholine

(S)-N-Boc-2-Hydroxymethylmorpholine Specification

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