structural formula

business number	016z
molecular formula	c15h17n3
molecular weight	239.32
label	3′-mdab

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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. polarizability（10^-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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