6-Amino-3,4-dihydroIsoquinolin-1(2H)-one - CAS 22246-00-0
Catalog: |
BB074886 |
Product Name: |
6-Amino-3,4-dihydroIsoquinolin-1(2H)-one |
CAS: |
22246-00-0 |
Synonyms: |
6-amino-3,4-dihydroisoquinolin-1(2H)-one; 6-Amino-3,4-dihydro-2H-isoquinolin-1-one; 6-amino-1,2,3,4-tetrahydroisoquinolin-1-one; 1(2H)-Isoquinolinone, 6-amino-3,4-dihydro- |
IUPAC Name: | 6-amino-3,4-dihydro-2H-isoquinolin-1-one |
Molecular Weight: | 162.19 |
Molecular Formula: | C9H10N2O |
Canonical SMILES: | C1CNC(=O)C2=C1C=C(C=C2)N |
InChI: | InChI=1S/C9H10N2O/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-2,5H,3-4,10H2,(H,11,12) |
InChI Key: | DVLAULBAJZJPJS-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.079312947 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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