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Symmetric Dimethylarginine
CAS: 30344-00-4 | C8H18N4O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
30344-00-4
Molecular Formula:
C8H18N4O2
Molecular Mass:
202.26 g/mol
Names and Synonyms:
Symmetric Dimethylarginine
L-Ornithine, N5-[(methylamino)(methylimino)methyl]-
L-Ornithine, N5-[bis(methylamino)methylene]-
Ornithine, N5-(N,N′-dimethylamidino)-, L-
N5-[(Methylamino)(methylimino)methyl]-L-ornithine
Symmetric dimethylarginine
SDMA
NG,NG′-Dimethyl-L-arginine
Dimethyl-L-arginine
(S)-2-Amino-5-(2,3-dimethylguanidino)pentanoic acid
Identifiers:
SMILES:
CN=C(NC)NCCC[C@H](N)C(=O)O
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
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 | 202.26 g/mol | CAS Common Chemistry |
| 202.25799999999998 g/mol | RDKit | |
| 202.142975816 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 |
| Molar Refractivity | 55.26660000000002 | RDKit |
