6-(aminomethyl)isoquinolin-1-amine - CAS 215454-95-8
Catalog: |
BB016954 |
Product Name: |
6-(aminomethyl)isoquinolin-1-amine |
CAS: |
215454-95-8 |
Synonyms: |
6-(aminomethyl)-1-isoquinolinamine; 6-(aminomethyl)isoquinolin-1-amine |
IUPAC Name: | 6-(aminomethyl)isoquinolin-1-amine |
Description: | 6-(aminomethyl)isoquinolin-1-amine (CAS# 215454-95-8 ) is a useful research chemical. |
Molecular Weight: | 173.219 |
Molecular Formula: | C10H11N3 |
Canonical SMILES: | C1=CC2=C(C=CN=C2N)C=C1CN |
InChI: | InChI=1S/C10H11N3/c11-6-7-1-2-9-8(5-7)3-4-13-10(9)12/h1-5H,6,11H2,(H2,12,13) |
InChI Key: | LWDVTRXNUGVQES-UHFFFAOYSA-N |
LogP: | 1.90610 |
Publication Number | Title | Priority Date |
WO-2021121396-A1 | Tricyclic compound that acts as plasma kallikrein inhibitor and use thereof | 20191220 |
WO-2021032933-A1 | Enzyme inhibitors | 20190821 |
WO-2021032934-A1 | Enzyme inhibitors | 20190821 |
WO-2021032935-A1 | Enzyme inhibitors | 20190821 |
WO-2021032936-A1 | Enzyme inhibitors | 20190821 |
PMID | Publication Date | Title | Journal |
21145740 | 20110101 | Fragment-based discovery of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors | Bioorganic & medicinal chemistry letters |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.095297364 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Related Functional Groups
Quinoline/Isoquinoline
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