AG003TPT

3297-72-1 | 1-Phenylisoquinoline

AG003TPT

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CAS Number	3297-72-1
Catalog Number	AG003TPT(AGN-PC-0WAESS)
Chemical Name	1-Phenylisoquinoline
IUPAC Name	1-phenylisoquinoline
InChI	InChI=1S/C15H11N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-11H
InChI Key	LPCWDYWZIWDTCV-UHFFFAOYSA-N
MDL Number	MFCD00093934
Molecular Formula	C15H11N
Molecular Weight	205.2545
SMILES	C1(C2=CC=CC=C2)=NC=CC3=C1C=CC=C3
Synonyms	1-Phenylisoquinoline, 3297-72-1, phenylisoquinoline, Isoquinoline, 1-phenyl-, LPCWDYWZIWDTCV-UHFFFAOYSA-N, AC-907/25014325, 1-Phenyl-isoquinoline, Isoquinoline, phenyl-, AC1L3BKV, ACMC-1CJY9, 1-Phenylisoquinoline, 97%, SCHEMBL50715, MLS001178436, CHEMBL1719440, CTK0D4813, DTXSID20186613, HMS2795J11, ZINC967340, ANW-27508, CP-932, MFCD00093934, SBB093505, AKOS015899660, AC-9331, AN-7145, CS-W015371, KS-0000105K, AJ-24468, AK130297, SMR000475749, ZB015400, AX8147678, DB-050434, TC-116253, 4CH-022270, FT-0767932, P1731, ST24038181, 297P721, I14-11083, 110396-10-6, C15H11N, CID137882, ZINC00967340, 1-Phenylisoquinoline, 98% - 1G 1g, ACN-051870, X0020,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.089g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.26g/mol
Monoisotopic Mass	205.089g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number