| CAS Number | 1745-77-3 |
| Catalog Number | AG001ZPH(AGN-PC-0JMPBM) |
| Chemical Name | Quinoline, 2-(phenylmethyl)- |
| IUPAC Name | 2-benzylquinoline |
| InChI | InChI=1S/C16H13N/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)17-15/h1-11H,12H2 |
| InChI Key | LLVHFJHCODIQJH-UHFFFAOYSA-N |
| MDL Number | MFCD08166340 |
| Molecular Formula | C16H13N |
| Molecular Weight | 219.2811 |
| SMILES | C(C1=NC2=C(C=CC=C2)C=C1)C1=CC=CC=C1 |
| Synonyms | 2-Benzylquinoline,
1745-77-3,
Phenylchinaldin,
AC1L3A3I,
Quinoline,2-(phenylmethyl)-,
Quinoline, 2-(phenylmethyl)-,
SCHEMBL3253637,
CTK4D5026,
DTXSID90169837,
LLVHFJHCODIQJH-UHFFFAOYSA-N,
ZINC5162373,
9035AA,
ANW-71941,
AKOS016007468,
AJ-53426,
AX8071266,
TC-160686,
C16H13N,
CID137191,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.287g/mol |
| Monoisotopic Mass | 219.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number