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547328

Sigma-Aldrich

9-Methyladenine

97%

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About This Item

Empirical Formula (Hill Notation):
C6H7N5
CAS Number:
700-00-5
Molecular Weight:
149.15
MDL number:
MFCD00047232
UNSPSC Code:
12352100
PubChem Substance ID:
24878931
NACRES:
NA.22

Quality Level

100

Assay

97%

mp

300-305 °C (lit.)

SMILES string

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

Gene Information

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

Related Categories

General description

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.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

547328-250MG:
547328-BULK:
547328-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCL5008
MKBR7487V
MKBB9664V
MKBB9664
00628CH

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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)
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)
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
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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Global Trade Item Number

SKUGTIN
547328-250MG4061833483022

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