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| CAS No.: | 53844-02-3 |
|---|---|
| Name: | BENZYL 2-BROMOETHYLCARBAMATE |
| Article Data: | 44 |
| Molecular Structure: | |
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| Formula: | C10H12BrNO2 |
| Molecular Weight: | 258.115 |
| Synonyms: | (2-BROMO-ETHYL)-CARBAMIC ACID BENZYL ESTER;BENZYL 2-BROMOETHYLCARBAMATE;N-CBZ-2-BROMOETHYLAMINE;N-Cbz-3-broMoethylaMine;Benzyl N-(2-broMoethyl)carbaMate;2-Benzyloxycarbonylaminoethyl bromide;2-Bromo-N-(benzyloxycarbonyl)ethylamine;N-Benzyloxycarbonyl-2-bromoethylamine |
| Density: | 1.428 g/cm3 |
| Melting Point: | 45 °C |
| Boiling Point: | 361.1 °C at 760 mmHg |
| Flash Point: | 172.2 °C |
| PSA: | 38.33000 |
| LogP: | 2.69860 |
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Specification
The Benzyl N-(2-bromoethyl)carbamate, with the CAS registry number 53844-02-3, is also known as Carbamic acid, N-(2-bromoethyl)-, phenylmethyl ester. Its molecular formula is C10H12BrNO2and its molecular weight is 258.1118. Additionally, it has the systematic name benzyl (2-bromoethyl)carbamate.
Other characteristics of the Benzyl N-(2-bromoethyl)carbamate can be summarised as followings: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 67.15; (6)ACD/BCF (pH 7.4): 67.14; (7)ACD/KOC (pH 5.5): 706.98; (8)ACD/KOC (pH 7.4): 706.93; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 58.16 cm3; (15)Molar Volume: 180.7 cm3; (16)Polarizability: 23.06×10-24cm3; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.428 g/cm3; (19)Flash Point: 172.2 °C; (20)Enthalpy of Vaporization: 60.69 kJ/mol; (21)Boiling Point: 361.1 °C at 760 mmHg; (22)Vapour Pressure: 2.12E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: BrCCNC(=O)OCc1ccccc1
2.InChI: InChI=1/C10H12BrNO2/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
3.InChIKey: HREXFDIZSAUXBO-UHFFFAOYAJ