1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid

2.1.2 InChI

InChI=1S/C6H14N4O2.C2H4O2/c7-4(5(11)12)2-1-3-10-6(8)9;1-2(3)4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H3,(H,3,4)/t4-;/m0./s1

2.1.3 InChI Key

OZBJWQQAAQSQPL-WCCKRBBISA-N

2.1.4 Canonical SMILES

CC(=O)O.C(CC(C(=O)O)N)CN=C(N)N

2.1.5 Isomeric SMILES

CC(=O)O.C(C[C@@H](C(=O)O)N)CN=C(N)N

2.2 Other Identifiers

2.2.1 UNII

4IMS9I1TBW

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 71173-62-1

2. L-arginine, Acetate

3. L-arginine, Monoacetate

4. Arginine Acetate

5. L-arginine, Acetate (1:1)

6. 4ims9i1tbw

7. Acetic Acid;(2s)-2-amino-5-(diaminomethylideneamino)pentanoic Acid

8. Einecs 275-247-2

9. Unii-4ims9i1tbw

10. Acetic Acid; (2s)-2-amino-5-guanidino-pentanoic Acid

11. Schembl1287128

12. Dtxsid1072268

13. Arginine Acetate [who-dd]

14. Akos028109092

15. 173a621

16. A837105

17. Acetic Acid,(2s)-2-amino-5-(diaminomethylideneamino)pentanoic Acid

18. (s)-2-amino-5-guanidinopentanoic Acid Compound With Acetic Acid (1:1)

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₈N₄O₄
Molecular Weight	234.25 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	234.13280507 g/mol
Monoisotopic Mass	234.13280507 g/mol
Topological Polar Surface Area	165 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	207
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

L-Arginine Acetate