CAS No.126264-49-1,3-MORPHOLINECARBOXYLIC ACID METHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	126264-49-1
Name:	3-MORPHOLINECARBOXYLIC ACID METHYL ESTER
Article Data:	3

Formula:	C₆H₁₁NO₃
Molecular Weight:	145.158
Synonyms:	methyl morpholine-3-carboxylate;3-Morpholinecarboxylic acid, methyl ester;Methyl morpholine-3-carboxylate;
EINECS:	242-641-0
Density:	1.106 g/cm³
Boiling Point:	202.2 °C at 760 mmHg
Flash Point:	76.1 °C
Hazard Symbols:	Xn
Risk Codes:	22-51
PSA:	47.56000
LogP:	-0.52340

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Specification

The 3-Morpholinecarboxylicacid, methyl ester, with the CAS registry number 126264-49-1, has the systematic name of methyl morpholine-3-carboxylate. It belongs to the product categories of Carboxylicester and Pharmacetical. And the molecular formula of the chemical is C₆H₁₁NO₃.

The characteristics of 3-Morpholinecarboxylicacid, methyl ester are as followings: (1)ACD/LogP: -0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.38; (4)ACD/LogD (pH 7.4): -1.04; (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): 5.59; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 34.35 cm³; (15)Molar Volume: 131.1 cm³; (16)Polarizability: 13.61×10^-24cm³; (17)Surface Tension: 32.3 dyne/cm; (18)Density: 1.106 g/cm³; (19)Flash Point: 76.1 °C; (20)Enthalpy of Vaporization: 43.85 kJ/mol; (21)Boiling Point: 202.2 °C at 760 mmHg; (22)Vapour Pressure: 0.295 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)C1NCCOC1
(2)InChI: InChI=1/C6H11NO3/c1-9-6(8)5-4-10-3-2-7-5/h5,7H,2-4H2,1H3
(3)InChIKey: VVYXIRKYWOEDRA-UHFFFAOYAN