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Glycocyamine
CAS: 352-97-6 | C3H7N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
352-97-6
Molecular Formula:
C3H7N3O2
Molecular Weight:
117.10799999999999 g/mol
Names and Synonyms:
Glycocyamine
Glycine, N-(aminoiminomethyl)-
Glycine, N-amidino-
N-(Aminoiminomethyl)glycine
Betacyamine
Glycocyamine
Guanidine, (carboxymethyl)-
Guanidineacetic acid
Guanidinoacetic acid
Guanidoacetic acid
Guanyl glycine
Acetic acid, [(aminoiminomethyl)amino]-
Guanidylacetic acid
Betasyamine
α-Guanidinoacetic acid
β-Guanidinoacetic acid
N-Amidinoglycine
2-[[Amino(imino)methyl]amino]acetic acid
NSC 1901
NSC 227847
NSC 26360
2-Guanidinoacetic acid
2-Carbamimidamidoacetic acid
2-(Diaminomethylideneazaniumyl)acetate
2-[(Diaminomethylidene)amino]acetic acid
Identifiers:
SMILES:
N=C(N)NCC(=O)O
InChI:
InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 117.10799999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 117.053826464 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 99.2 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.4459299999999997 | RDKit |
| cas-melting-point | >300 °C None | Legacy Database |
| cas-name | Guanidinoacetic acid None | Legacy Database |
| wikipedia-name | Glycocyamine None | Legacy Database |
| molecular_mass | 117.11 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Glycocyamine None | Legacy Database |
| cas-canonical-smile | O=C(O)CNC(=N)N None | Legacy Database |
| cas-inchi | InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6) None | Legacy Database |
| cas-inchi-key | InChIKey=BPMFZUMJYQTVII-UHFFFAOYSA-N None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.5526 | RDKit |
