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9-Methyladenine

Name: 9-Methyladenine
Brand: ALDRICH

97%

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About This Item

Formule empirique (notation de Hill):

C₆H₇N₅

Numéro CAS:

700-00-5

Poids moléculaire :

149.15

Numéro MDL:

MFCD00047232

Code UNSPSC :

12352100

ID de substance PubChem :

24878931

Nomenclature NACRES :

NA.22

Pureté

97%

Pf

300-305 °C (lit.)

Chaîne SMILES

Cn1cnc2c(N)ncnc12

InChI

1S/C6H7N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3,(H2,7,8,9)

Clé InChI

WRXCXOUDSPTXNX-UHFFFAOYSA-N

Informations sur le gène

rat ... Adora1(29290) , Adora2a(25369)

Description générale

9-Methyladenine is a derivative of adenine. It belongs to the monoclinic crystal system and P2₁/c space group.

Application

9-Methyladenine may be used in the preparation of N6-benzoyl-9-methyladenine.

Code de la classe de stockage

11 - Combustible Solids

Classe de danger pour l'eau (WGK)

WGK 3

Point d'éclair (°F)

Not applicable

Point d'éclair (°C)

Not applicable

Équipement de protection individuelle

Eyeshields, Gloves, type N95 (US)

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IR spectroscopy of isolated neutral and protonated adenine and 9-methyladenine.

Gydo C P van Zundert et al.

Chemphyschem : a European journal of chemical physics and physical chemistry, 12(10), 1921-1927 (2011-05-28)

IR spectroscopy is employed to study isolated adenine and its derivative 9-methyladenine in both their neutral and protonated forms. The IR spectra of neutral adenine and 9-methyladenine are measured in a molecular beam expansion via IR-UV ion-dip spectroscopy in the

The neutron crystal structure of 9-methyladenine at 126 K.

McMullan RK, et al.

Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials, 36(6), 1424-1430 (1980)

Platinum(II)-mediated coupling reactions of acetonitrile with the exocyclic nitrogen of 9-methyladenine and 1-methylcytosine. Synthesis, NMR characterization, and X-ray structures of new azametallacycle complexes.

Bruno Longato et al.

Inorganic chemistry, 45(4), 1805-1814 (2006-02-14)

The hydroxo complex cis-[L2Pt(mu-OH)]2(NO3)2, (L = PMePh2, 1a), in CH3CN solution, deprotonates the NH2 group of 9-methyladenine (9-MeAd) to give the cyclic trinuclear species cis-[L2Pt[9-MeAd(-H)]]3(NO3)3, (L = PMePh2, 2a), in which the nucleobase binds the metal centers through the N(1)

Interguanine hydrogen-bonding patterns in adducts with water and Zn-purine complexes (purine is 9-methyladenine and 9-methylguanine). Unexpected preference of Zn(II) for adenine-N7 over guanine-N7.

Pilar Amo-Ochoa et al.

Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry, 12(4), 543-555 (2007-02-21)

Guanine-guanine hydrogen bonding involving the Watson-Crick edge [N(1)H, N(2)H2] of one base and the Hoogsteen edge (N7, O6) of the other is the dominant association pattern in the solid-state structures of two hydrates of 9-ethylguanine (9-EtGH), and in adducts of

An investigation of hydrogen-bonding effects on the nitrogen and hydrogen electric field gradient and chemical shielding tensors in the 9-methyladenine real crystalline structure: a density functional theory study.

Mahmoud Mirzaei et al.

The journal of physical chemistry. A, 110(14), 4833-4838 (2006-04-08)

Hydrogen-bonding effects in the real crystalline structure of 9-methyladenine, 9-MA, were studied using calculated electric field gradient, EFG, and chemical shielding, CS, tensors for nitrogen and hydrogen nuclei via density functional theory. The calculations were carried out at the B3LYP

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