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N-Acetyl-L-Arginine
CAS: 155-84-0 | C8H16N4O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
155-84-0
Molecular Formula:
C8H16N4O3
Molecular Mass:
216.24 g/mol
Names and Synonyms:
N-Acetyl-L-Arginine
L-Arginine, N2-acetyl-
Arginine, N2-acetyl-, L-
N2-Acetyl-L-arginine
α-N-Acetyl-L-arginine
Nα-Acetylarginine
Nα-Acetyl-L-arginine
N-Acetyl-L-arginine
(2S)-2-Acetamido-5-(diaminomethylideneamino)pentanoic acid
Identifiers:
SMILES:
CC(O)=N[C@@H](CCCNC(=N)N)C(=O)O
InChI:
InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1
Key Properties
Melting Point
215 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.24 g/mol | CAS Common Chemistry |
| 216.241 g/mol | RDKit | |
| 216.122240372 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NC(=O)C)CCCNC(=N)N | CAS Common Chemistry |
| InChI | InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SNEIUMQYRCDYCH-LURJTMIESA-N | CAS Common Chemistry |
| Melting Point | 215 °C | CAS Common Chemistry |
| Name | N-Acetyl-L-arginine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 131.79 Ų | RDKit |
| LogP | -0.32072999999999957 | RDKit |
| Molar Refractivity | 56.31240000000001 | RDKit |
