547328
9-Methyladenine
97%
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About This Item
Empirical Formula (Hill Notation):
C6H7N5
CAS Number:
Molecular Weight:
149.15
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
9-Methyladenine, 97%
InChI
1S/C6H7N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3,(H2,7,8,9)
SMILES string
Cn1cnc2c(N)ncnc12
InChI key
WRXCXOUDSPTXNX-UHFFFAOYSA-N
assay
97%
mp
300-305 °C (lit.)
Quality Level
Gene Information
rat ... Adora1(29290), Adora2a(25369)
Application
9-Methyladenine may be used in the preparation of N6-benzoyl-9-methyladenine.
General description
9-Methyladenine is a derivative of adenine. It belongs to the monoclinic crystal system and P21/c space group.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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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)
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
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
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)
O Dolgounitcheva et al.
The journal of physical chemistry. A, 113(52), 14630-14635 (2009-07-15)
Vertical ionization energies of 9-H adenine and 9-methyl adenine have been calculated with the following, ab initio, electron propagator methods: the outer valence Green's function (OVGF), partial third-order theory (P3), and the third-order algebraic diagrammatic construction, or ADC(3). Basis set
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