AG00I9DA

52364-71-3 | [1,1'-Biphenyl]-4-carbonitrile, 4'-(pentyloxy)-

AG00I9DA

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CAS Number	52364-71-3
Catalog Number	AG00I9DA(AGN-PC-0JLE6G)
Chemical Name	[1,1'-Biphenyl]-4-carbonitrile, 4'-(pentyloxy)-
EC Number	257-875-9
IUPAC Name	4-(4-pentoxyphenyl)benzonitrile
InChI	InChI=1S/C18H19NO/c1-2-3-4-13-20-18-11-9-17(10-12-18)16-7-5-15(14-19)6-8-16/h5-12H,2-4,13H2,1H3
InChI Key	RDISTOCQRJJICR-UHFFFAOYSA-N
MDL Number	MFCD00074879
Molecular Formula	C18H19NO
Molecular Weight	265.3496
SMILES	N#CC1=CC=C(C2=CC=C(OCCCCC)C=C2)C=C1
Synonyms	galanin (1-12)-Pro-substance P (5-11), galantide, M 15, M-15, M15, 52364-71-3, 4'-Pentyloxy-[1,1'-Biphenyl]-4-carbonitrile, 4-Pentyloxy-4'-cyanobiphenyl, 4-Cyano-4'-pentyloxybiphenyl, 4-Amyloxycyanodiphenyl, [1,1'-Biphenyl]-4-carbonitrile, 4'-(pentyloxy)-, 5OCB, 4'-(pentyloxy)biphenyl-4-carbonitrile, 5COB, M 15 (liquid crystal), NZh K 1, 4-Cyano-4'-pentoxybiphenyl, D 105 (stationary phase), Ro CB 5315, m 15, EINECS 257-875-9, BRN 2215500, 4-(4-pentoxyphenyl)benzonitrile, D 105, 4-Pentyloxy-[1,1'-biphenyl]-4'-carbonitrile, 4'-(Pentyloxy)-(1,1'-biphenyl)-4-carbonitrile, (1,1'-Biphenyl)-4-carbonitrile, 4'-(pentyloxy)-, MFCD00074879, 4'-(Pentyloxy)-4-biphenylcarbonitrile, FR-2357, AK-50739, 4'-(Pentyloxy)(1,1'-biphenyl)-4-carbonitrile, 4'-(Pentyloxy)[1,1'-biphenyl]-4-carbonitrile, 4'-Pentyloxy-4-cyanobiphenyl, 4-(4-pentyloxyphenyl)benzenecarbonitrile, PubChem2528, ACMC-1ANDW, AC1Q4RRI, AC1L2W9C, 4-Amyloxy-4'-cyanobiphenyl, SCHEMBL503737, 4-n-Pentyloxy-4-cyanobiphenyl, 4-Cyano-4'-n-pentyloxybiphenyl, DTXSID9068746, CTK4J5801, RDISTOCQRJJICR-UHFFFAOYSA-N, 4'-Amyloxy-4-biphenylcarbonitrile, 4-n-Pentyloxy-4-phenylcarbonitrile, ALBB-024913, KS-00000IH4, ZINC2023190, ZX-AN023427, ZX-AT016843, 4'-Pentyloxy-4-biphenylcarbonitrile, 4-[4-(pentyloxy)phenyl]benzonitrile, ANW-31447, CP-099, SBB008639, AKOS001483291, AS04552, MCULE-7106319403, RL03928, 4|A-(Pentyloxy)-4-biphenylcarbonitrile, ACM52364713, AJ-32803, AN-41000, AT-10448, CC-20272, CJ-31567, DS-15528, LS-44213, AX8016887, BB0295949, DB-028991, TR-018583, 4-Pentyloxy-[1,1-biphenyl]-4-carbonitrile, FT-0640064, R1963, ST24028643, ST45025203, W6719, [1,1'-Biphenyl]-4-carbonitrile,4'-(pentyloxy)-, 364P713, 4'-(Pentyloxy)[1,1'-biphenyl]-4-carbonitrile #, 4-Pentyloxy-[1,1\'-biphenyl]-4\'-carbonitrile, C-16620, SR-01000389346, J-513809, SR-01000389346-1, 4'-(Pentyloxy)-4-biphenylcarbonitrile, liquid crystal (nematic), 99%, 4-pentyloxybiphenylnitrile, C18H19NO, C18-H19-N-O, 4-Pentyloxy-4'-biphenylcarbonitrile, AR-1G2007, CID104171, C1551, 4-Cyano-4'-pentyloxybiphenyl, 99% - 1G 1g, 5336-42-5,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.147g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	265.356g/mol
Monoisotopic Mass	265.147g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

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

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