1-Aminoisoquinoline - CAS 1532-84-9
Catalog: |
BB010876 |
Product Name: |
1-Aminoisoquinoline |
CAS: |
1532-84-9 |
Synonyms: |
isoquinolin-1-amine |
IUPAC Name: | isoquinolin-1-amine |
Description: | 1-Aminoisoquinoline (CAS# 1532-84-9) is a useful research chemical. |
Molecular Weight: | 144.17 |
Molecular Formula: | C9H8N2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=CN=C2N |
InChI: | InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11) |
InChI Key: | OSILBMSORKFRTB-UHFFFAOYSA-N |
Boiling Point: | 323.9 °C at 760 mmHg |
Density: | 1.21 g/cm3 |
MDL: | MFCD00024137 |
LogP: | 2.39820 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113512040-A | Novel sanguinarine bionic analogue and preparation method thereof | 20210825 |
CN-214242765-U | Device is put in selective examination of lamination formula lithium-ion battery pole piece | 20210825 |
CN-113412753-A | Biological agriculture intangible membrane tectorial membrane device | 20210807 |
CN-113418373-A | Drying equipment for organic-inorganic compound fertilizer | 20210628 |
CN-113501785-A | Method for constructing amino isoquinoline derivatives through transition metal catalyzed C-H activation/cyclization reaction | 20210601 |
PMID | Publication Date | Title | Journal |
31498617 | 20190926 | Discovery of Benzamidine- and 1-Aminoisoquinoline-Based Human MAS-Related G-Protein-Coupled Receptor X1 (MRGPRX1) Agonists | Journal of medicinal chemistry |
21812407 | 20110902 | Synthesis of 1-aminoisoquinolines via Rh(III)-catalyzed oxidative coupling | Organic letters |
21617812 | 20110707 | An efficient route to 1-aminoisoquinolines via AgOTf-catalyzed reaction of 2-alkynylbenzaldoxime with amine | Organic & biomolecular chemistry |
21316818 | 20110401 | Biological evaluation of polyhalo 1,3-diazaheterocycle fused isoquinolin-1(2H)-imine derivatives | European journal of medicinal chemistry |
21251828 | 20110215 | Optimisation of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors | Bioorganic & medicinal chemistry letters |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.068748264 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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