(S)-4-Benzyl-5-oxomorpholine-3-carboxylic acid supplier

Name
(S)-4-Benzyl-5-oxomorpholine-3-carboxylic acid
EINECS
CAS No. 106910-79-6
Article Data3
CAS DataBase
Density 1.339 g/cm³
Solubility
Melting Point 170-173°C
Formula C₁₂H₁₃NO₄
Boiling Point 506.8 °C at 760 mmHg
Molecular Weight 235.24
Flash Point 260.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Morpholinecarboxylicacid, 5-oxo-4-(phenylmethyl)-, (?à)-;4-Benzyl-5-oxomorpholine-3-carboxylic acid;
PSA 66.84000
LogP 0.43650

(S)-4-Benzyl-5-oxomorpholine-3-carboxylic acid Specification

The (S)-4-Benzyl-5-oxomorpholine-3-carboxylic acid with its cas register number is 106910-79-6. It also can be called as 3-Morpholinecarboxylicacid, 5-oxo-4-(phenylmethyl)- and the Systematic name about this chemical is (3S)-4-benzyl-5-oxomorpholine-3-carboxylic acid. It belongs to the following product categories, such as Aromatics Compounds, Aromatics, Chiral Reagents, Heterocycles and so on.

Physical properties about (S)-4-Benzyl-5-oxomorpholine-3-carboxylic acid are: (1)ACD/LogP: 0.60; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 66.84Å²; (10)Index of Refraction: 1.587; (11)Molar Refractivity: 59.02 cm³; (12)Molar Volume: 175.6 cm³; (13)Polarizability: 23.39x10^-24cm³; (14)Surface Tension: 58.9 dyne/cm; (15)Enthalpy of Vaporization: 81.8 kJ/mol; (16)Vapour Pressure: 4.28E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)(1)SMILES: O=C(O)[C@@H]2COCC(=O)N2Cc1ccccc1
(2)InChI: InChI=1/C12H13NO4/c14-11-8-17-7-10(12(15)16)13(11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/t10-/m0/s1
(3)InChIKey: LAHROJZLGLNLBT-JTQLQIEIBM
(4)Std. InChI: InChI=1S/C12H13NO4/c14-11-8-17-7-10(12(15)16)13(11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/t10-/m0/s1
(5)Std. InChIKey: LAHROJZLGLNLBT-JTQLQIEISA-N

Product Name

(S)-4-Benzyl-5-oxomorpholine-3-carboxylic acid

(S)-4-Benzyl-5-oxomorpholine-3-carboxylic acid Specification

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