9-Methyladenine

C6H7N5CAS 700-00-5149.16 g/mol

Open in Covalent MOL file
NNNH2NN
Primary amine

Properties

Molecular formula
C6H7N5
Molar mass
149.16 g/mol
Exact mass
149.0701 Da
Density
1.47 g/mL
Melting point
300 °C (sublimes)
logP
-0.05Crippen estimate
Polar surface area
69.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
700-00-5
SMILES
Cn1cnc2c(N)ncnc21
InChIKey
WRXCXOUDSPTXNX-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3,(H2,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names
  • 9H-Purin-6-amine, 9-methyl-
  • Adenine, 9-methyl-
  • 9-Methyl-9H-purin-6-amine
  • 6-Amino-9-methylpurine
  • 9-Methyl-9H-adenine
  • N9-Methyladenine
  • N 838
  • NSC 7843
  • ST 088036

Work with 9-Methyladenine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Chloro-9-methylpurine2346-74-958 % similar S-9-(2-Hydroxypropyl)adenine14047-27-950 % similar D-(-)-9-(2-Hydroxypropyl)adenine14047-28-050 % similar 9-(2-Hydroxyethyl)adenine707-99-350 % similar 5′-Deoxyadenosine4754-39-644 % similar Deoxyadenosine958-09-842 % similar Dideoxyadenosine4097-22-741 % similar Vidarabine5536-17-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N1-Methyladenine5142-22-3 3-Methyladenine5142-23-4 7-Methyladenine935-69-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook