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Molecule
Symmetric Dimethylarginine
CAS: 30344-00-4 · C8H18N4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 30344-00-4
- Molecular Formula
- C8H18N4O2
- Molecular Mass
- 202.26 g/mol
Identifiers
CAS Registry Number
30344-00-4
SMILES
CN=C(NC)NCCC[C@H](N)C(=O)O
InChI Key
HVPFXCBJHIIJGS-LURJTMIESA-N
InChI
InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1
Names and Synonyms
- Symmetric Dimethylarginine Synonym
- L-Ornithine, N5-[(methylamino)(methylimino)methyl]- Synonym
- L-Ornithine, N5-[bis(methylamino)methylene]- Synonym
- Ornithine, N5-(N,N′-dimethylamidino)-, L- Synonym
- N5-[(Methylamino)(methylimino)methyl]-L-ornithine Synonym
- Symmetric dimethylarginine Synonym
- SDMA Synonym
- NG,NG′-Dimethyl-L-arginine Synonym
- Dimethyl-L-arginine Synonym
- (S)-2-Amino-5-(2,3-dimethylguanidino)pentanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.26 g/mol | CAS Common Chemistry |
| 202.25799999999998 g/mol | RDKit | |
| 202.258 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CCCN=C(NC)NC | CAS Common Chemistry |
| InChI | InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HVPFXCBJHIIJGS-LURJTMIESA-N | CAS Common Chemistry |
| Name | Symmetric dimethylarginine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 99.74 Ų | RDKit |
| LogP | -1.026699999999998 | RDKit |
| -1.0267 | RDKit | |
| Molar Refractivity | 55.26660000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 202.142975816 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 |
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200 ppm
180
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20
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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.
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MW = 202.26 g/mol. Edit any field — others recompute live.
