Carbamic acid,bis(2-bromoethyl)-, 1,1-dimethylethyl ester (9CI) supplier

Name
N-Boc-N,N-bis(2-bromoethyl)amine
EINECS
CAS No. 159635-50-4
Article Data2
CAS DataBase
Density 1.545 g/cm³
Solubility
Melting Point
Formula C₉H₁₇Br₂NO₂
Boiling Point 317.7 °C at 760 mmHg
Molecular Weight 331.047
Flash Point 146 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butylbis(2-bromoethyl)carbamate;
PSA 29.54000
LogP 3.01330

Carbamic acid,bis(2-bromoethyl)-, 1,1-dimethylethyl ester (9CI) Specification

The CAS registry number of Carbamic acid,bis(2-bromoethyl)-, 1,1-dimethylethyl ester (9CI) is 159635-50-4. This chemical is also named as N-Boc-N,N-bis(2-bromoethyl)amine. In addition, its molecular formula is C₉H₁₇Br₂NO₂ and molecular weight is 331.0448. Its systematic name is called tert-butyl bis(2-bromoethyl)carbamate.

Physical properties about Carbamic acid,bis(2-bromoethyl)-, 1,1-dimethylethyl ester (9CI) are: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.56; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 299.1; (6)ACD/BCF (pH 7.4): 299.1; (7)ACD/KOC (pH 5.5): 2059.68; (8)ACD/KOC (pH 7.4): 2059.68; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.515; (13)Molar Refractivity: 64.67 cm³; (14)Molar Volume: 214.2 cm³; (15)Surface Tension: 40.3 dyne/cm; (16)Density: 1.545 g/cm³; (17)Flash Point: 146 °C; (18)Enthalpy of Vaporization: 55.92 kJ/mol; (19)Boiling Point: 317.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000378 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N(CCBr)CCBr
(2)InChI: InChI=1/C9H17Br2NO2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7H2,1-3H3
(3)InChIKey: CIKNCWSDHQVBKL-UHFFFAOYA

Product Name

N-Boc-N,N-bis(2-bromoethyl)amine

Carbamic acid,bis(2-bromoethyl)-, 1,1-dimethylethyl ester (9CI) Specification

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