1,3-bis(4-nitrobenzene)urea structural formula

1,3-bis(4-nitrobenzene)urea structural formula

Structural formula

Business number 05Z7
Molecular formula C13H10N4O5
Molecular weight 302.24




Miscellaneous Biochemistry

Numbering system

CAS number:587-90-6

MDL number:MFCD00024602

EINECS number:209-607-7

RTECS number:None

BRN number:2225762

PubChem number:24864321

Physical property data

1. Physical property data

1. Melting point (ºC): 300

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

Molecular property data:

1, Molar refractive index:78.16

2, Molar volume (m3/mol):193.5

3, Isotonic specific volume (90.2K ):576.4

4, Surface tension (dyne/ cm):78.6

5 Polarizability (10-24cm3):30.98

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.1

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecule polar surface area 133

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 379

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet


None yet

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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