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Molecule
N-Propyl-L-Arginine
CAS: 137361-05-8 · C9H20N4O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 137361-05-8
- Molecular Formula
- C9H20N4O2
- Molecular Mass
- 216.29 g/mol
Identifiers
CAS Registry Number
137361-05-8
SMILES
CCCNC(=N)NCCC[C@H](N)C(=O)O
InChI Key
AOMXURITGZJPKB-ZETCQYMHSA-N
InChI
InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1
Names and Synonyms
- N-Propyl-L-Arginine Synonym
- L-Ornithine, N5-[imino(propylamino)methyl]- Synonym
- N5-[Imino(propylamino)methyl]-L-ornithine Synonym
- Nω-Propyl-L-arginine Synonym
- NG-Propyl-L-arginine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.29 g/mol | CAS Common Chemistry |
| 216.28499999999997 g/mol | RDKit | |
| 216.285 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Propyl-L-arginine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(N)CCCNC(=N)NCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AOMXURITGZJPKB-ZETCQYMHSA-N | CAS Common Chemistry |
| Name | Nω-Propyl-L-arginine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 111.23 Ų | RDKit |
| LogP | -0.297529999999999 | RDKit |
| -0.2975 | RDKit | |
| Molar Refractivity | 58.86830000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7778 | RDKit |
| 0.78 | chempirical lib | |
| Exact Mass | 216.15862588 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 216.29 g/mol. Edit any field — others recompute live.
