5-Amino-6-chloroisoquinoline - CAS 72677-89-5
Catalog: |
BB034668 |
Product Name: |
5-Amino-6-chloroisoquinoline |
CAS: |
72677-89-5 |
Synonyms: |
6-chloro-5-isoquinolinamine; 6-chloroisoquinolin-5-amine |
IUPAC Name: | 6-chloroisoquinolin-5-amine |
Description: | 5-Amino-6-chloroisoquinoline (CAS# 72677-89-5 ) is a useful research chemical. |
Molecular Weight: | 178.62 |
Molecular Formula: | C9H7ClN2 |
Canonical SMILES: | C1=CC(=C(C2=C1C=NC=C2)N)Cl |
InChI: | InChI=1S/C9H7ClN2/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-5H,11H2 |
InChI Key: | ODBKHKLBRJGEEX-UHFFFAOYSA-N |
LogP: | 3.05160 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.0297759 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.0297759 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Quinoline/Isoquinoline
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