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352-97-6 molecular structure
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2-carbamimidamidoacetic acid

ChemBase ID: 2469
Molecular Formular: C3H7N3O2
Molecular Mass: 117.10658
Monoisotopic Mass: 117.05382648
SMILES and InChIs

SMILES:
NC(=N)NCC(=O)O
Canonical SMILES:
NC(=N)NCC(=O)O
InChI:
InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
InChIKey:
BPMFZUMJYQTVII-UHFFFAOYSA-N

Cite this record

CBID:2469 http://www.chembase.cn/molecule-2469.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-carbamimidamidoacetic acid
IUPAC Traditional name
N-[amino(imino)methyl]glycine
glycocyamine
Synonyms
GLYCOCYAMINE
Glycocyamine
N-Amidinoglycine
N-Guanylglycine
GUANIDOACETIC ACID
N-[Amino(Imino)Methyl]Glycine
2-{[amino(imino)methyl]amino}acetic acid
Guanidineacetic acid
2-Guanidinoacetic acid
N-(Aminoiminomethyl)-glycine
2-[[Amino(imino)methyl]amino]acetic Acid
NSC 26360
NSC 227847
NSC 1901
Betacyamine
Guanidinoacetic Acid
N-脒基甘氨酸
甘氨酸氰胺
胍基乙酸
乙酸胍
胍乙酸
CAS Number
352-97-6
EC Number
206-529-5
MDL Number
MFCD00004278
Beilstein Number
1759179
Merck Index
144495
PubChem SID
160965919
24895047
46506215
PubChem CID
763
CHEBI ID
16344
CHEMBL
281593
Chemspider ID
743
DrugBank ID
DB02751
KEGG ID
C00581
MeSH Name
glycocyamine
Unique Ingredient Identifier
GO52O1A04E
Wikipedia Title
Glycocyamine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 3.3686965  H Acceptors
H Donor LogD (pH = 5.5) -3.1288266 
LogD (pH = 7.4) -3.1262124  Log P -3.1262057 
Molar Refractivity 36.718 cm3 Polarizability 9.945617 Å3
Polar Surface Area 99.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -1.76  LOG S -1.45 
Solubility (Water) 4.19e+00 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
White crystals expand Show data source
Melting Point
300 °C(lit.) expand Show data source
300°C expand Show data source
ca 280°C dec. expand Show data source
Partition Coefficient
-1.11 expand Show data source
pKa
3.414 expand Show data source
pKb
10.583 expand Show data source
Odor
Odourless expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
r36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
s26, s36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS exclamation mark expand Show data source
GHS07 expand Show data source
GHS Signal Word
WARNING expand Show data source
Warning expand Show data source
GHS Hazard statements
315, 319, 335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
261, 305+351+338 expand Show data source
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
99% expand Show data source
99+% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Linear Formula
H2NC(=NH)NHCH2CO2H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05203408 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02101918 external link
Crystalline
DrugBank - DB02751 external link
Drug information: experimental
Sigma Aldrich - G11608 external link
Packaging
25, 100 g in poly bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. G11608.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
Toronto Research Chemicals - G821250 external link
An important marker for renal failure, in kidney transplantation, and for the renal metabolic activity.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Zugno, A., et al.: Neurochem. Res., 33, 1804 (2008)
  • • Debray, F., et al.: Neurol., 71, 44 (2008)
  • • da Silva, R., et al.: Am. J. Physiol., 296, E256 (2008)
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PATENTS

PATENTS

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INTERNET

INTERNET

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