3-Methyladenine
Compound with spectra: 11 NMR, 1 FTIR, and 3 MS (GC)
| SpectraBase Compound ID | 8oRIQO4pPKg |
|---|---|
| InChI | InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3 |
| InChIKey | FSASIHFSFGAIJM-UHFFFAOYSA-N |
| Mol Weight | 149.16 g/mol |
| Molecular Formula | C6H7N5 |
| Exact Mass | 149.070145 g/mol |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | HE-1986-243-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD:CF3COOD=49:1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6:CF3COOD=99:1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMF-D7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 280879 |
| Solvent | Methanol-d4 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 280879 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 280879 |
| Solvent | Methanol-d4 |
- N(3)-METHYLADENINE
- FSASIHFSFGAIJM-UHFFFAOYSA-N
- 3H-PURIN-6-AMINE, 3-METHYL-
- 6-Amino-3-methylpurine
1-Methyladenine
5-METHYLIMIDAZO-[4,5-E]-AS-TRIAZIN-3(2H)-ONE
4-(Benzylideneamino)-3,5-diamino-2H-pyrrol-2-one
N'-(2-methoxy-1-methyl-6-oxidanylidene-pyrimidin-4-yl)-N,N-dimethyl-methanimidamide
4H-Imidazol-5-amine, 2-(2-amino-1-propenyl)-N,N,4,4-tetramethyl-, (E)-
2-(diethylamino)-5-phenyl-3H-azepine
2-Methyl-3-phenyl-pyrimidin-4(3H)-one
1,2-Dimethyl-4-(benzylidene)imidazolin-5-one
4-(o-cumenyl)-3-thioallophanic acid, ethyl ester
5-Acetamido-4-amino-2-methylpyrimidin-6(H)-one
| Title | Journal or Book | Year |
|---|---|---|
| Systematic Tables of Mono- and Poly-N-methylated Adenines: Acid Dissociation Constants and UV and NMR Spectral Data | HETEROCYCLES | 1999 |
| (+)- and ent-(-)-Duocarmycin SA and (+)- and ent-(-)-N-BOC-DSA DNA Alkylation Properties.Alkylation Site Models That Accommodate the Offset AT-Rich Adenine N3 Alkylation Selectivity of the Enantiomeric Agents | Journal of the American Chemical Society | 1994 |
| Adenine Adduct of Aflatoxin B1 Epoxide | Journal of the American Chemical Society | 1994 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.
KnowItAll Mass Spectral Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.