nortriptyline

Structural formula

• 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:72-69-5

MDL number:None

EINECS number:200-788-8

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

Toxicological data

Acute toxicity: Rat oral LD50: 502 mg/kg; Rat intravenous LD50 : 22 mg/kg;

Mouse oral administration LD50: 370 mg/kg; Mouse abdominal cavity LD50: 70 mg/kg; Mouse VeinLD50：17 mg/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index:86.76

2. Molar volume (m³/mol）：242.8

3. isotonic specific volume (90.2K):636.9

4. Surface Tension (dyne/cm):47.3

5. Polarizability（10^-24cm³):34.39

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 12

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 307

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain stereocenters of atoms: 0

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

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