Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | N/A | |
Synonyms |
BH2049;N-Cbz-2-aminoethylmorpholine; |
Article Data | 2 |
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