9-(2-Hydroxyethyl)adenine

C7H9N5OCAS 707-99-3179.18 g/mol

Open in Covalent MOL file
H2NNNNNOH
AlcoholPrimary amine

Properties

Molecular formula
C7H9N5O
Molar mass
179.18 g/mol
Exact mass
179.0807 Da
Melting point
238–239 °C
logP
-0.60Crippen estimate
Polar surface area
89.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

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
707-99-3
SMILES
Nc1ncnc2c1ncn2CCO
InChIKey
VAQOTZQDXZDBJK-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N5O/c8-6-5-7(10-3-9-6)12(1-2-13)4-11-5/h3-4,13H,1-2H2,(H2,8,9,10)

Weigh it out

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

Names and synonyms

7 names
  • 9H-Purine-9-ethanol, 6-amino-
  • 6-Amino-9H-purine-9-ethanol
  • 9-(β-Hydroxyethyl)adenine
  • NSC 51467
  • 2-(6-Amino-9H-purin-9-yl)ethanol
  • 2-(6-Amino-9H-purin-9-yl)ethan-1-ol
  • 2-(6-Aminopurin-9-yl)ethanol

Work with 9-(2-Hydroxyethyl)adenine

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

S-9-(2-Hydroxypropyl)adenine14047-27-959 % similar D-(-)-9-(2-Hydroxypropyl)adenine14047-28-059 % similar Adefovir106941-25-755 % similar 9-Methyladenine700-00-550 % similar Diethyl P-[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]phosphonate116384-53-348 % similar Arprinocid55779-18-546 % similar Dideoxyadenosine4097-22-746 % similar (S)-Tenofovir147127-19-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook