chempirical

6-Aminoisoquinoline

C9H8N2CAS 23687-26-5144.18 g/mol

Open in Covalent MOL file
NH2N
Primary amine

Properties

Molecular formula
C9H8N2
Molar mass
144.18 g/mol
Exact mass
144.0687 Da
logP
1.82Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
1 / 2
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
23687-26-5
SMILES
C1=CC2=C(C=CN=C2)C=C1N
InChIKey
NGFCTYXFMDWFRQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H,10H2

Weigh it out

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

Work with 6-Aminoisoquinoline

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

Anthracene-2,6-diamine46710-42-356 % similar 6-Bromoisoquinoline34784-05-953 % similar 6-Methylisoquinoline42398-73-253 % similar 6-Chloroisoquinoline62882-02-453 % similar 6-Isoquinolinol7651-82-353 % similar 2-Naphthylamine91-59-852 % similar 2-Aminoanthracene613-13-850 % similar 6-Methoxyisoquinoline52986-70-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Aminoisoquinoline1125-60-6 1-Phenylpyrazole1126-00-7 7-Indolinecarbonitrile115661-82-0 5-Methylquinoxaline13708-12-8 1-Isoquinolinamine1532-84-9 2-Methyl-[1,8]naphthyridine1569-16-0 4-Isoquinolinamine23687-25-4 8-Isoquinolinamine23687-27-6

Elsewhere

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