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6-Dmap
CAS: 938-55-6 | C7H9N5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
938-55-6
Molecular Formula:
C7H9N5
Molecular Mass:
163.18 g/mol
Names and Synonyms:
6-Dmap
9H-Purin-6-amine, N,N-dimethyl-
Adenine, N,N-dimethyl-
1H-Purin-6-amine, N,N-dimethyl-
Purine, 6-(dimethylamino)-
Adenine, N6,N6-dimethyl-
N,N-Dimethyl-9H-purin-6-amine
N,N-Dimethyladenine
6,6-Dimethyladenine
Dimethyladenine
6-(Dimethylamino)purine
N,N-Dimethyl-6-aminopurine
N6,N6-Dimethyladenine
NSC 401568
DMAP
6-DMAP
Identifiers:
SMILES:
CN(C)c1ncnc2[nH]cnc12
InChI:
InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)
Key Properties
Melting Point
251-253 °C (decomp)
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 | 163.18 g/mol | CAS Common Chemistry |
| 163.184 g/mol | RDKit | |
| 163.08579528799999 g/mol | RDKit | |
| Canonical SMILES | N1=CN=C(C=2NC=NC12)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=BVIAOQMSVZHOJM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 251-253 °C (decomp) | CAS Common Chemistry |
| Name | 6-DMAP | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.7 Ų | RDKit |
| LogP | 0.4189 | RDKit |
| Molar Refractivity | 46.010700000000014 | RDKit |
