Isoquinolin-3-amine

C9H8N2CAS 25475-67-6144.18 g/mol

Open in Covalent MOL file
NNH2
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 42 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
25475-67-6
SMILES
C1=CC=C2C=NC(=CC2=C1)N
InChIKey
VYCKDIRCVDCQAE-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)

Weigh it out

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

Work with Isoquinolin-3-amine

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

3-Chloroisoquinoline19493-45-952 % similar 3-Methylisoquinoline1125-80-050 % similar 3-Bromoisoquinoline34784-02-650 % similar 3(2H)-Isoquinolinone7651-81-250 % similar 3-Isoquinolinecarbonitrile26947-41-147 % similar 2,3-Diaminonaphthalene771-97-144 % similar 1-Bromoisoquinolin-3-amine13130-79-542 % similar 3-Aminoquinoline580-17-642 % 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 6-Aminoisoquinoline23687-26-5

Elsewhere

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