4-(dimethylamino)-3′-methylazobenzene

4-(dimethylamino)-3'-methylazobenzene structural formula

Structural formula

Business number 016Z
Molecular formula C15H17N3
Molecular weight 239.32
label

3′-MDAB

Numbering system

CAS number:55-80-1

MDL number:None

EINECS number:200-243-4

RTECS number:BX8250000

BRN number:None

PubChem ID:None

Physical property data

None

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 76.08


2. Molar volume (m3/mol):234.6


3. isotonic specific volume (90.2K):574.6


4. Surface Tension (dyne/cm):36.0


5. Polarizability10-24cm3):30.16

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 28

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 267

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

Storage method

None

Synthesis method

None

Purpose

None

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