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3890-99-1

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Basic Information
CAS No.: 3890-99-1
Name: 2-Bromo-N-(2-bromoethyl)ethanamine
Article Data: 10
Molecular Structure:
Molecular Structure of 3890-99-1 (2-Bromo-N-(2-bromoethyl)ethanamine)
Formula: C4H9Br2N
Molecular Weight: 230.93
Synonyms: Diethylamine,2,2'-dibromo- (7CI,8CI);1,5-Dibromo-3-azapentane;Di(2-bromoethyl)amine;Bis(2-bromoethyl)amine;Bis(b-bromoethyl)amine;
Density: 1.78 g/cm3
Boiling Point: 239.4 °C at 760 mmHg
Flash Point: 98.586 °C
PSA: 12.03000
LogP: 1.75670
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Specification

The Ethanamine,2-bromo-N-(2-bromoethyl)-, with the CAS registry number 3890-99-1, is also known as 2-Bromo-N-(2-bromoethyl)ethanamine. This chemical's molecular formula is C4H9Br2N and molecular weight is 228.91. What's more, its IUPAC name is called 2-Bromo-N-(2-bromoethyl)ethanamine.

Physical properties about Ethanamine,2-bromo-N-(2-bromoethyl)- are: (1)ACD/LogP: 1.965; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 11.22; (7)ACD/KOC (pH 5.5): 5.65; (8)ACD/KOC (pH 7.4): 170.83; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.03 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 39.639 cm3; (15)Molar Volume: 129.742 cm3; (16)Polarizability: 15.714×10-24cm3; (17)Surface Tension: 38.666 dyne/cm; (18)Density: 1.78 g/cm3; (19)Flash Point: 98.586 °C; (20)Enthalpy of Vaporization: 47.629 kJ/mol; (21)Boiling Point: 239.4 °C at 760 mmHg; (22)Vapour Pressure: 0.040 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCCNCCBr
(2) InChI: InChI=1S/C4H9Br2N/c5-1-3-7-4-2-6/h7H,1-4H2
(3) InChIKey: GVLQQPDTOWRBRC-UHFFFAOYSA-N