Structural formula

Business number	01GJ
Molecular formula	C10H26N4
Molecular weight	202.34
label	spermine, semen, N,N’-Bis(3-aminopropyl)-1,4-butanediamine, Gerontine, Musculamine

• 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:71-44-3

MDL number:MFCD00008215

EINECS number:200-754-2

RTECS number:EJ7175000

BRN number:1750791

PubChem number:24899550

Physical property data

1. Properties: yellow or light yellow oily liquid

2. Density (g/mL, 25/4℃): 0.925

3. Relative vapor density (g/ mL, air=1): Uncertain

4. Melting point (ºC): 28~30

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5mmHg): 150 (666.5pa)

7. Refractive index: Uncertain

8. Flash point (ºC): >110

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25 ºC): Uncertain

12. Saturated vapor pressure (kPa, 60 ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Oil-water (octanol/water) partition coefficient relationship Value: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: H₂O: 1 M at 20 °C, clear, colorless

Toxicological data

Acute toxicity: Rat intraperitoneal LD50: 33 mg/kg; Rat intravenous LD50: 65 mg/kg; Mouse oral LD30: 650 mg/kg; Mouse intraperitoneal LDLo: 8 mg/kg; Mouse subcutaneous injection LD30: 280 mg/kg; mouse intravenous LD50: 56 mg/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 62.63

2. Molar volume (cm³/mol): 218.5

3. Isotonic specific volume (90.2K ): 543.9

4. Surface tension (dyne/cm): 38.3

5. Polarizability (10-24cm3): 24.83

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -1.1

2. Hydrogen bondingNumber of donors: 4

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 11

5. Topological molecule polar surface area (TPSA): 76.1

6. Number of heavy atoms: 14

7. Surface charge: 0

8. Complexity: 86.1

9. Number of isotope atoms: 0

10. Number of determined atomic stereocenters: 0

11. Number of uncertain atomic stereocenters: 0

12. Determined number of stereocenters of chemical bonds: 0

13. Uncertain number of stereocenters of chemical bonds: 0

14. Number of covalent bond units: 1

Properties and stability

1. Found in tobacco leaves.

Storage method

Storage temperature 4ºC

Synthesis method

None

Purpose

1. Organophosphorus pesticide intermediates.

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