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Benzyl 2-(aminomethyl)-4-morpholinecarboxylate

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Name

Benzyl 2-(aminomethyl)-4-morpholinecarboxylate

EINECS N/A
CAS No. 317365-31-4 Density 1.183 g/cm3
PSA 64.79000 LogP 1.62090
Solubility N/A Melting Point N/A
Formula C13H18N2O3 Boiling Point 400.789 °C at 760 mmHg
Molecular Weight 250.13 Flash Point 196.191 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 317365-31-4 (4-Cbz-2-(aMinoMethyl)Morpholine) Hazard Symbols N/A
Synonyms

BH2049;N-Cbz-2-aminoethylmorpholine;

Article Data 2

Benzyl 2-(aminomethyl)-4-morpholinecarboxylate Specification

The CAS registry number of 4-Morpholinecarboxylic acid, 2-(aminomethyl)-, phenylmethyl ester is 317365-31-4. This chemical's molecular formula is C13H18N2O3 and molecular weight is 250.13. What's more, its systematic name is called Benzyl 2-(aminomethyl)-4-morpholinecarboxylate.

Physical properties about 4-Morpholinecarboxylic acid, 2-(aminomethyl)-, phenylmethyl ester are: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.59; (4)ACD/LogD (pH 7.4): -1.51; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8) ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 64.79 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 67.286 cm3; (15)Molar Volume: 211.617 cm3; (16)Polarizability: 26.674×10-24cm3; (17)Surface Tension: 47.14 dyne/cm; (18)Density: 1.183 g/cm3; (19)Flash Point: 196.191 °C; (20)Enthalpy of Vaporization: 65.171 kJ/mol; (21)Boiling Point: 400.789 °C at 760 mmHg ; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCc1ccccc1)N2CC(CN)OCC2
(2) InChI: InChI=1S/C13H18N2O3/c14-8-12-9-15(6-7-17-12)13(16)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2
(3) InChIKey: JLHGVBVBEFSEEY-UHFFFAOYSA-N

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