AG002G58

1926-86-9 | 6-Aminohexanoic acid hexyl ester p-toluenesulfonate

AG002G58

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CAS Number	1926-86-9
Catalog Number	AG002G58(AGN-PC-07828N)
Chemical Name	6-Aminohexanoic acid hexyl ester p-toluenesulfonate
IUPAC Name	hexyl 6-aminohexanoate;4-methylbenzenesulfonic acid
InChI	InChI=1S/C12H25NO2.C7H8O3S/c1-2-3-4-8-11-15-12(14)9-6-5-7-10-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,13H2,1H3;2-5H,1H3,(H,8,9,10)
InChI Key	RVALTWBPTNLNAV-UHFFFAOYSA-N
MDL Number	MFCD00059852
Molecular Formula	C19H33NO5S
Molecular Weight	387.5340
SMILES	O=C(OCCCCCC)CCCCCN.CC1=CC=C(S(=O)(O)=O)C=C1
Synonyms	1926-86-9, Hexyl 6-Aminohexanoate p-Toluenesulfonate, Hexyl 6-aminohexanoate 4-methylbenzenesulfonate, 6-Aminohexanoic Acid Hexyl Ester p-Toluenesulfonate, 6-Amino-N-caproic acid N-hexyl ester P-toluensulfonate, ACMC-209ewa, SCHEMBL721014, CTK8B1100, DTXSID10659846, ANW-23576, MFCD00059852, AKOS027320130, ACM1926869, Hexyl6-Aminohexanoatep-Toluenesulfonate, KS-0000179F, TC-112321, A0772, FT-0749855, C-44595, 6-Amino-n-caproic acid n-hexyl ester p-toluenesulfonate, 4-Methylbenzene-1-sulfonic acid--hexyl 6-aminohexanoate (1/1),

Complexity	355
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	387.208g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	387.535g/mol
Monoisotopic Mass	387.208g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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