9H-Purine,6-chloro-8-methyl-

CAS

92001-52-0

Catalog Number

ACM92001520

Category

Other Products

Molecular Formula

C₆H₅ClN₄

MSDS COA Spec Sheet

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Specification

Density

1.69g/cm³

What is the molecular formula of 9H-Purine,6-chloro-8-methyl?

The molecular formula is C6H5ClN4.

What is the molecular weight of 9H-Purine,6-chloro-8-methyl?

The molecular weight is 168.58 g/mol.

What is the IUPAC Name of 9H-Purine,6-chloro-8-methyl?

The IUPAC Name is 6-chloro-8-methyl-7H-purine.

What is the InChI of 9H-Purine,6-chloro-8-methyl?

The InChI is InChI=1S/C6H5ClN4/c1-3-10-4-5(7)8-2-9-6(4)11-3/h2H,1H3,(H,8,9,10,11).

What is the InChIKey of 9H-Purine,6-chloro-8-methyl?

The InChIKey is MZYQXIIORWCBHF-UHFFFAOYSA-N.

What is the Canonical SMILES of 9H-Purine,6-chloro-8-methyl?

The Canonical SMILES is CC1=NC2=C(N1)C(=NC=N2)Cl.

What is the CAS number of 9H-Purine,6-chloro-8-methyl?

The CAS number is 92001-52-0.

What is the DSSTox Substance ID of 9H-Purine,6-chloro-8-methyl?

The DSSTox Substance ID is DTXSID10419922.

What is the Nikkaji Number of 9H-Purine,6-chloro-8-methyl?

The Nikkaji Number is J2.046.062H.

Is 9H-Purine,6-chloro-8-methyl a canonicalized compound?

Yes, 9H-Purine,6-chloro-8-methyl is canonicalized.

Upstream Synthesis Route 1

50609-15-9

92001-52-0

Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984, # 5, p. 879 - 885
[2] Patent: US2012/202785, 2012, A1, . Location in patent: Page/Page column 262

Upstream Synthesis Route 2

1445-45-0
4316-98-7

92001-52-0

Reference: [1] Bioorganic and Medicinal Chemistry, 2017, vol. 25, # 13, p. 3315 - 3329

Upstream Synthesis Route 3

4316-98-7
108-24-7

92001-52-0

Reference: [1] Patent: WO2015/123365, 2015, A1, . Location in patent: Page/Page column 139

Upstream Synthesis Route 4

50609-15-9

92001-52-0

Reference: [1]Journal of the Chemical Society. Perkin transactions I,1984,p. 879 - 885
[2]Patent: US2012/202785,2012,A1 .Location in patent: Page/Page column 262