Adenine hydrochloride

C5H6ClN5CAS 2922-28-3171.59 g/mol

Open in Covalent MOL file
HClNH2NNHNN
Primary amine

Properties

Molecular formula
C5H6ClN5
Molar mass
171.59 g/mol
Exact mass
171.0312 Da
logP
0.31Crippen estimate
Polar surface area
80.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
2922-28-3
SMILES
Cl.Nc1nc[nH]c2ncnc1-2
InChIKey
UQVDQSWZQXDUJB-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H

Weigh it out

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

Names and synonyms

4 names
  • Adenine, monohydrochloride
  • 9H-Purin-6-amine, hydrochloride (1:1)
  • 1H-Purin-6-amine, monohydrochloride
  • Leucon

Work with Adenine hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Adenine73-24-5Free base Adenine sulfate321-30-2Salt Adenine phosphate52175-10-7Salt

Similar compounds

6-Bromo-9H-purine767-69-148 % similar 6-Chloropurine87-42-348 % similar Adenine hydrochloride hemihydrate6055-72-745 % similar 2-Chloroadenine1839-18-544 % similar 7-Deazaadenine1500-85-244 % similar Isoguanine3373-53-343 % similar 2-Fluoroadenine700-49-243 % similar 6-Benzylaminopurine1214-39-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook