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| CAS No.: | 19023-94-0 |
|---|---|
| Name: | Cbz-N-Methylethylenediamine |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C11H16N2O2 |
| Molecular Weight: | 208.26 |
| Synonyms: | Carbamicacid, (2-aminoethyl)methyl-, benzyl ester (8CI);Carbamic acid,(2-aminoethyl)methyl-, phenylmethyl ester (9CI);N-Benzyloxycarbonyl-N-methylethylenediamine; |
| Density: | 1.118 g/cm3 |
| Boiling Point: | 327.6 °C at 760 mmHg |
| Flash Point: | 151.9 °C |
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- Total:8 Page 1 of 1 1
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Specification
The Carbamicacid, N-(2-aminoethyl)-N-methyl-, phenylmethyl ester, with the CAS registry number 19023-94-0, is also known as Benzyl 2-aminoethyl(methyl)carbamate. This chemical's molecular formula is C11H16N2O2 and molecular weight is 208.2569. What's more, its systematic name is Benzyl (2-aminoethyl)methylcarbamate.
Physical properties about Carbamicacid, N-(2-aminoethyl)-N-methyl-, phenylmethyl ester are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.43; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 11.52; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 55.56 Å2; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 58.73 cm3; (14)Molar Volume: 186.1 cm3; (15)Polarizability: 23.28×10-24 cm3; (16)Surface Tension: 45.1 dyne/cm; (17)Density: 1.118 g/cm3; (18)Flash Point: 151.9 °C; (19)Enthalpy of Vaporization: 56.99 kJ/mol; (20)Boiling Point: 327.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0002 mmHg at 25 °C.
Uses of Carbamicacid, N-(2-aminoethyl)-N-methyl-, phenylmethyl ester: it is used to produce other chemicals. For example, it is used to produce {2-[3-Hydroxy-6-methoxy-2-(4-methoxy-phenyl)-4-oxo-3, 4-dihydro-2H-benzo[b][1, 4]thiazepin-5-yl]-ethyl}-methyl-carbamic acid benzyl ester. The reaction needs reagent KOH and solvent Dimethylsulfoxide. The reaction temperature is 30-35 °C. The yield is about 80.8 %.
![Carbamicacid, N-(2-aminoethyl)-N-methyl-, phenylmethyl ester can react with 3-Hydroxy-6-methoxy-2-(4-methoxy-phenyl)-2, 3-dihydro-5H-benzo[b][1, 4]thiazepin-4-one to get {2-[3-Hydroxy-6-methoxy-2-(4-methoxy-phenyl)-4-oxo-3, 4-dihydro-2H-benzo[b][1, 4]thiazepin-5-yl]-ethyl}-methyl-carbamic acid benzyl ester.](/UserFilesUpload/Uses of Carbamicacid, N-(2-aminoethyl)-N-methyl-, phenylmethyl ester.png)
You can still convert the following datas into molecular structure:
(1) SMILES: CN(CCN)C(=O)OCc1ccccc1
(2) InChI: InChI=1/C11H16N2O2/c1-13(8-7-12)11(14)15-9-10-5-3-2-4-6-10/h2-6H,7-9,12H2,1H3
(3) InChIKey: BEIBNZUDHJCOKR-UHFFFAOYAL