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6020-87-7

Basic Information
CAS No.: 6020-87-7
Name: Creatine monohydrate
Article Data: 5
Molecular Structure:
Molecular Structure of 6020-87-7 (Creatine monohydrate)
Formula: C4H9N3O2.H2O
Molecular Weight: 149.15
Synonyms: N-(Aminoiminomethyl)-N-methylglycine monohydrate;Glycine, N-(aminoiminomethyl)-N-methyl-, monohydrate;Creatine hydrate;2-(carbamimidoyl-methyl-amino)acetic acid hydrate;Creatine Mono;Creatine Monohydrate FCC 4;Creatine Monohydrate (P190);Creatine 1-hydrate;
EINECS: 200-306-6
Melting Point: 292 °C (dec.)(lit.)
Boiling Point: 271.6 °C at 760 mmHg
Flash Point: 118.1 °C
Solubility: 13 g/L (20 °C) in water
Appearance: white cryst. powder
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 36/37/38-20/21/22
Safety: 26-36
PSA: 99.64000
LogP: -0.36800
Synthetic route
107-97-1

sarcosine

7404-50-4

2-{[amino(imino)methyl]sulfanyl}acetic acid

6020-87-7

creatine monohydrate powder

Conditions
ConditionsYield
at 60℃; for 3h;80%
420-04-2

CYANAMID

4316-73-8

sodium sarcosinate

6020-87-7

creatine monohydrate powder

Conditions
ConditionsYield
In water
With water at 20 - 80℃; for 1h; Temperature; Large scale;
13598-36-2

phosphonic Acid

6020-87-7

creatine monohydrate powder

zinc(II) oxide

Zn(2+)*2C4N3OH7*HPO3(2-)*H2O=(C4N3OH7)2Zn(H2O)HPO3

Conditions
ConditionsYield
In water creatine, ZnO, H3PO3 (6:1:2), and water were shaken and heated at 70°C for 24 h (pH 6); ppt. was filtered;76%
13598-36-2

phosphonic Acid

6020-87-7

creatine monohydrate powder

zinc(II) oxide

(C4N3OH7Zn(H2O)HPO3)2

Conditions
ConditionsYield
In water creatine, ZnO, H3PO3 (4:1:4), and water were shaken and heated at 70°C for 24 h (pH 4); ppt. was filtered;61%
13598-36-2

phosphonic Acid

6020-87-7

creatine monohydrate powder

zinc(II) oxide

503588-77-0

Zn(2+)*CH3N2C3H2ONH2*HPO3(2-)=C4N3OH7ZnHPO3

Conditions
ConditionsYield
In water creatine hydrate, ZnO, H3PO3 (5:1:3), and water were shaken and heated at 70°C for 24 h (pH 5); ppt. was filtered;51%

disodium creatine phosphate tetrahydrate

6020-87-7

creatine monohydrate powder

60-27-5

creatinine

disodium creatine phosphate tetrahydrate

6020-87-7

creatine monohydrate powder

A

60-27-5

creatinine

B

57-00-1

Creatinine

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Chemistry

Molecule structure of Creatine monohydrate (CAS NO.6020-87-7):

IUPAC Name: 2-[Carbamimidoyl(methyl)amino]acetic acid hydrate 
Molecular Weight: 149.14844 g/mol
Molecular Formula: C4H11N3O3 
Melting Point: 292 °C (dec.)(lit.)
Flash Point: 118.1 °C
Enthalpy of Vaporization: 56.12 kJ/mol
Boiling Point: 271.6 °C at 760 mmHg
Vapour Pressure: 0.00178 mmHg at 25 °C 
Storage Temp.: store at RT.
Water Solubility: 13 g/L (20 °C)
H-Bond Donor: 4
H-Bond Acceptor: 6
Rotatable Bond Count: 3
Exact Mass: 149.080041
MonoIsotopic Mass: 149.080041
Topological Polar Surface Area: 91.4
Heavy Atom Count: 10
Canonical SMILES: CN(CC(=O)O)C(=N)N.O
InChI: InChI=1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2
InChIKey: MEJYXFHCRXAUIL-UHFFFAOYSA-N
EINECS: 200-306-6
Product Categories: Food & Feed ADDITIVES; Nutritional Supplements; Food & Flavor Additives; API's; Biochemicals Found in Plants; Nutrition Research; Other Biochemical

Uses

 Creatine monohydrate (CAS NO.6020-87-7) is used as pharmaceutical raw materials and health care products additive.

Safety Profile

Hazard Codes: IrritantXi, HarmfulXn
Risk Statements: 36/37/38-20/21/22 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 1
HS Code: 29252000

Specification

 Creatine monohydrate (CAS NO.6020-87-7) is also named as Creatine hydrate ; N-(Aminoiminomethyl)-N-methylglycine monohydrate ; Glycine, N-(aminoiminomethyl)-N-methyl-, monohydrate . Creatine monohydrate (CAS NO.6020-87-7) is white cryst. powder. It is slightly soluble in water, insoluble in alcohol and ether .