方案
97%
mp
300-305 °C (lit.)
SMILES字符串
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)
InChI key
WRXCXOUDSPTXNX-UHFFFAOYSA-N
基因信息
rat ... Adora1(29290), Adora2a(25369)
一般描述
9-Methyladenine is a derivative of adenine. It belongs to the monoclinic crystal system and P21/c space group.
应用
9-Methyladenine may be used in the preparation of N6-benzoyl-9-methyladenine.
储存分类代码
11 - Combustible Solids
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
Eyeshields, Gloves, type N95 (US)
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
Jann A Frey et al.
Chemphyschem : a European journal of chemical physics and physical chemistry, 7(7), 1494-1499 (2006-06-07)
2-Pyridone (pyridin-2-one) is a mimic of the uracil and thymine nucleobases, with only one N--H and C==O group. It provides a single H-bonding site, compared to three for the canonical pyrimidine nucleobases. Employing the supersonically cooled 9-methyladenine2-pyridone (9MAd x 2PY)
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
Yevgeniy Nosenko et al.
Physical chemistry chemical physics : PCCP, 12(4), 863-870 (2010-01-13)
We present femtosecond multiphoton ionization detected infrared spectra of jet-cooled monohydrates of adenine and 9-methyladenine. By quantum chemical vibrational analysis and comparison with available literature data we identified two isomers of adenine hydrate with one water molecule hydrogen-bonded to either
Susana Ibáñez et al.
Inorganic chemistry, 50(20), 10439-10447 (2011-09-24)
The synthesis and characterization of three heteronuclear Pt(2)Pd(2) (4, 5) and PtPd(2) (6) complexes of the model nucleobase 9-methyladenine (9-MeA) is reported. The compounds were prepared by reacting [Pt(NH(3))(3)(9-MeA-N7)](ClO(4))(2) (1) with [Pd(en)(H(2)O)(2)](ClO(4))(2) at different ratios r between Pt and Pd
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