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Molecule
Arginine
CAS: 74-79-3 · C6H14N4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 74-79-3
- Molecular Formula
- C6H14N4O2
- Molecular Mass
- 174.20 g/mol
Identifiers
CAS Registry Number
74-79-3
SMILES
N=C(N)NCCC[C@H](N)C(=O)O
InChI Key
ODKSFYDXXFIFQN-BYPYZUCNSA-N
InChI
InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
Names and Synonyms
- Arginine Common Name
- L-Arginine Synonym
- Arginine, L- Synonym
- Arginine Synonym
- Pentanoic acid, 2-amino-5-[(aminoiminomethyl)amino]-, (S)- Synonym
- L-(+)-Arginine Synonym
- (S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid Synonym
- L-Norvaline, 5-[(aminoiminomethyl)amino]- Synonym
- L-Ornithine, N5-(aminoiminomethyl)- Synonym
- L-α-Amino-δ-guanidinovaleric acid Synonym
- L-Arg Synonym
- NSC 206269 Synonym
- L-arginine C Grade Synonym
- A 0526 Synonym
- (2S)-2-Amino-5-(diaminomethylideneamino)pentanoic acid Synonym
- 42: PN: WO2020027640 SEQID: 105 claimed protein Synonym
- 42: PN: KR20200014684 SEQID: 105 claimed sequence Synonym
- 117: PN: WO2021061872 SEQID: 117 claimed protein Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.20 g/mol | CAS Common Chemistry |
| 174.204 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.10 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Arginine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(N)CCCNC(=N)N | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ODKSFYDXXFIFQN-BYPYZUCNSA-N | CAS Common Chemistry |
| Melting Point | 244 °C | CAS Common Chemistry |
| Name | L-Arginine | CAS Common Chemistry |
| Arginine | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 125.22000000000001 Ų | RDKit |
| 125.22 Ų | RDKit | |
| 113.37 Ų | chempirical lib | |
| LogP | -1.338429999999999 | RDKit |
| -1.3384 | RDKit | |
| Molar Refractivity | 44.76200000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 174.111675688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 174.20 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14N4O2.
