4-Aminoisoquinoline - CAS 23687-25-4
Catalog: |
BB018141 |
Product Name: |
4-Aminoisoquinoline |
CAS: |
23687-25-4 |
Synonyms: |
isoquinolin-4-amine |
IUPAC Name: | isoquinolin-4-amine |
Description: | Used for synthesis of Rho kinase inhibitors. |
Molecular Weight: | 144.17 |
Molecular Formula: | C9H8N2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=NC=C2N |
InChI: | InChI=1S/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H2 |
InChI Key: | ISIUXVGHQFJYHM-UHFFFAOYSA-N |
Boiling Point: | 360 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.21 g/cm3 |
Appearance: | White to dark brown powder |
MDL: | MFCD00034752 |
LogP: | 2.39820 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112170477-A | In-situ remediation method for pre-buried photocatalytic soil | 20200917 |
CN-111909702-A | Environment-friendly soil remediation agent and preparation method thereof | 20200904 |
WO-2021147699-A1 | Pyridoheterocyclic compound, and preparation method therefor and use thereof | 20200121 |
CN-111233692-A | Citronellac acid amide derivative and preparation method and application thereof | 20200119 |
WO-2021136763-A1 | Isoquinoline derivatives for use in treating glut1 deficiency syndrome | 20191230 |
PMID | Publication Date | Title | Journal |
17205595 | 20070101 | Mechanistic study on rearrangement cascades starting from annulated 2-aza-hepta-2,4-dienyl-6-ynyl anions: formation of aniline and azepine derivatives | Chemistry (Weinheim an der Bergstrasse, Germany) |
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: | 1.4 |
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Related Functional Groups
Quinoline/Isoquinoline
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