Creatine Creatine
Structural formula
| Business number | 0188 |
|---|---|
| Molecular formula | C4H9N3O2 |
| Molecular weight | 131.13 |
| label |
N-amine carnitine, (α-Methylguanido)acetic acid, N-Amidinosarcosine |
Numbering system
CAS number:57-00-1
MDL number:MFCD00004282
EINECS number:200-306-6
RTECS number:None
BRN number:907175
PubChem number:24857517
Physical property data
None yet
Toxicological data
Acute toxicity:
Main irritant effects:
On skin: Irritation to skin and mucous membranes.
On the eyes: It only affects the eyes.
Sensitization: No known sensitizing effects.
Ecological data
General remarks
Water hazard level 1 (German regulations) (self-assessment via list) This substance is slightly hazardous to water.
Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.
Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 30.27
2. Molar volume (cm3/mol): 94.7
3. Isotonic specific volume (90.2K): 261.0
4. Surface tension (dyne/cm): 57.6
5. Polarizability (10-24cm3): 12.00
Calculate chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -1.2
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 3
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4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 90.4
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 134
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
Purpose
None yet
