1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[carbamimidoyl(methyl)amino]acetic acid;hydrochloride

2.1.2 InChI

InChI=1S/C4H9N3O2.ClH/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H

2.1.3 InChI Key

DGOAYHVIVJYHKU-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

429W5UKC8E

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2-[carbamimidoyl(methyl)amino]acetic Acid;hydrochloride

2. Refchem:460101

3. 811-182-3

4. Creatine Hcl

5. Creatine Hydrochloride

6. 17050-09-8

7. 2-(1-methylguanidino)acetic Acid Hydrochloride

8. 429w5ukc8e

9. Mfcd09264309

10. 2-(n-methylcarbamimidamido)acetic Acid Hydrochloride

11. Unii-429w5ukc8e

12. Schembl1241423

13. Dtxsid50937776

14. Dgoayhvivjyhku-uhfffaoysa-n

15. Akos022181291

16. Creatine Hydrochloride [who-dd]

17. As-12123

18. Db-360218

19. E85253

20. N-carbamimidoyl-n-methylglycine--hydrogen Chloride (1/1)

21. Glycine, N-(aminoiminomethyl)-n-methyl-, Hydrochloride (1:1)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₄H₁₀ClN₃O₂
Molecular Weight	167.59 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	90.4
Heavy Atom Count	10
Formal Charge	0
Complexity	134
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Creatine Hydrochloride