-
Name
Cbz-N-Methylethylenediamine
- EINECS
- CAS No. 19023-94-0
- Article Data4
- CAS DataBase
- Density 1.118 g/cm3
- Solubility
- Melting Point
- Formula C11H16N2O2
- Boiling Point 327.6 °C at 760 mmHg
- Molecular Weight 208.26
- Flash Point 151.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Carbamicacid, (2-aminoethyl)methyl-, benzyl ester (8CI);Carbamic acid,(2-aminoethyl)methyl-, phenylmethyl ester (9CI);N-Benzyloxycarbonyl-N-methylethylenediamine;
- PSA
- LogP
Carbamicacid, N-(2-aminoethyl)-N-methyl-, phenylmethyl ester 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
Related Products
- Carbamicacid, [1-(hydroxymethyl)-2-[[(4-methylphenyl)methyl]thio]ethyl]-,1,1-dimethylethyl ester, (S)- (9CI)
- Carbamicacid, [2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-, 1,1-dimethylethyl ester,(S)- (9CI)
- Carbamicacid, [2-hydroxy-6-(4-morpholinyl)phenyl]-, ethyl ester (9CI)
- Carbamicacid, [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,1,1-dimethylethyl ester (9CI)
- Carbamicacid, N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-, 1,1-dimethylethyl ester
- Carbamicacid, N-(2-aminoethyl)-N-methyl-, phenylmethyl ester
- Carbamicacid, N-(2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
- Carbamicacid, N-[(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethylester
- Carbamicacid, N-[(3-formylphenyl)methyl]-, 1,1-dimethylethyl ester
- Carbamicacid, N-[3-(aminomethyl)phenyl]-, 1,1-dimethylethyl ester
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