6-Benzylaminopurine hydrochloride

C12H12ClN5CAS 162714-86-5261.71 g/mol

Open in Covalent MOL file
HNNNHNNHCl
Secondary amine

Properties

Molecular formula
C12H12ClN5
Molar mass
261.71 g/mol
Exact mass
261.0781 Da
logP
2.39Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
162714-86-5
SMILES
C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3.Cl
InChIKey
VQVCNMLGIVVDOS-UHFFFAOYSA-N
InChI
InChI=1S/C12H11N5.ClH/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;/h1-5,7-8H,6H2,(H2,13,14,15,16,17);1H

Weigh it out

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Work with 6-Benzylaminopurine 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

Similar compounds

6-Benzylaminopurine1214-39-756 % similar 6-Benzamidopurine4005-49-650 % similar 6-Benzyloxypurine57500-07-950 % similar Adenine hydrochloride hemihydrate6055-72-741 % similar N-(Phenylmethyl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-amine2312-73-437 % similar 2-(Benzylamino)pyridine6935-27-936 % similar Benzylhydrazine hydrochloride1073-62-736 % similar Benzylhydrazine dihydrochloride20570-96-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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