AG003EKK

2687-94-7 | 1-Octylpyrrolidin-2-one

AG003EKK

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CAS Number	2687-94-7
Catalog Number	AG003EKK(AGN-PC-0KO6OY)
Chemical Name	1-Octylpyrrolidin-2-one
IUPAC Name	1-octylpyrrolidin-2-one
InChI	InChI=1S/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3
InChI Key	WPPOGHDFAVQKLN-UHFFFAOYSA-N
MDL Number	MFCD00074965
Molecular Formula	C12H23NO
Molecular Weight	197.3171
SMILES	O=C1N(CCCCCCCC)CCC1
Synonyms	1-octyl-2-pyrrolidone, 1-octylpyrrolidin-2-one, 2687-94-7, 1-Octyl-2-pyrrolidone, N-Octyl-2-pyrrolidone, N-Octylpyrrolidone, 1-Octyl-2-pyrrolidinone, 1-n-Octyl-2-pyrrolidone, 2-Pyrrolidinone, 1-octyl-, n-octyl pyrrolidone, N-Octylpyrrolidinone, N-(n-octyl)-2-pyrrolidinone, BRN 1526318, n-(n-octyl)-2-pyrrolidone, N-Octyl pyrroldone, n-octyl-pyrrolidone, N-n-Octylpyrrolidone, AC1MHWGV, ACMC-1CJMS, 1-octyl-pyrrolidin-2-one, EC 403-700-8, DSSTox_CID_16435, DSSTox_RID_79280, DSSTox_GSID_36435, SCHEMBL37427, KSC489O5D, 1-Octyl-2-pyrrolidone, 98%, CHEMBL3186828, DTXSID4036435, CTK3I9751, KS-00000WRD, WPPOGHDFAVQKLN-UHFFFAOYSA-, WPPOGHDFAVQKLN-UHFFFAOYSA-N, ZINC2545315, Tox21_301550, ANW-26072, MFCD00074965, AKOS015839938, CS-W015668, RL02906, RTR-012108, TRA0058395, NCGC00255442-01, AK117230, CC-04933, CC-33043, SC-17449, CAS-2687-94-7, AX8019852, DB-067695, LS-138948, TR-012108, FT-0654983, O0325, ST24027147, C-09114, I11-0155, I14-1605, J-016582, J-523740, InChI=1/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3, Caprylyl pyrrolidone, Pyrrolidone, N- octyl-, C12H23NO, C12-H23-N-O, CID3033871, 5-21-06-00330 (Beilstein Handbook Reference), 1-Octyl-2-pyrrolidone, 99% - 100G 100g,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.178g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.322g/mol
Monoisotopic Mass	197.178g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H314-H411
Precuationary statements	P273-P280-P305+P351+P338-P310
Siginal words

Certificate of Analysis

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