(2-Amino-5,6,7,8-tetrahydro-3-quinolyl)(phenyl)methanone - CAS 1447962-29-9
Catalog: |
BB009832 |
Product Name: |
(2-Amino-5,6,7,8-tetrahydro-3-quinolyl)(phenyl)methanone |
CAS: |
1447962-29-9 |
Synonyms: |
(2-amino-5,6,7,8-tetrahydroquinolin-3-yl)-phenylmethanone; (2-amino-5,6,7,8-tetrahydroquinolin-3-yl)-phenylmethanone |
IUPAC Name: | (2-amino-5,6,7,8-tetrahydroquinolin-3-yl)-phenylmethanone |
Description: | (2-Amino-5,6,7,8-tetrahydro-3-quinolyl)(phenyl)methanone (CAS# 1447962-29-9 ) is a useful research chemical. |
Molecular Weight: | 252.31 |
Molecular Formula: | C16H16N2O |
Canonical SMILES: | C1CCC2=C(C1)C=C(C(=N2)N)C(=O)C3=CC=CC=C3 |
InChI: | InChI=1S/C16H16N2O/c17-16-13(15(19)11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)18-16/h1-3,6-7,10H,4-5,8-9H2,(H2,17,18) |
InChI Key: | XIGLKCVCHGCPDO-UHFFFAOYSA-N |
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: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.126263138 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.126263138 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 56 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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