4-Isoquinolinamine

C9H8N2CAS 23687-25-4144.18 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
Melting point
108 °C
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 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
23687-25-4
SMILES
Nc1cncc2ccccc12
InChIKey
ISIUXVGHQFJYHM-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H2

Weigh it out

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

Names and synonyms

3 names
  • Isoquinoline, 4-amino-
  • 4-Aminoisoquinoline
  • NSC 170840

Work with 4-Isoquinolinamine

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

1-Naphthylamine134-32-754 % similar 4-Bromoisoquinoline1532-97-452 % similar 4-Fluoroisoquinoline394-67-252 % similar α-Naphthylamine hydrochloride552-46-548 % similar 4-Isoquinolineboronic acid192182-56-247 % similar Isoquinoline-4-carbaldehyde22960-16-347 % similar (S)-(-)-2,2'-Diamino-1,1'-binaphthalene18531-95-845 % similar (R)-(+)-2,2'-Diamino-1,1'-binaphthalene18741-85-045 % 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 6-Aminoisoquinoline23687-26-5 8-Isoquinolinamine23687-27-6

Elsewhere

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