AG007LEQ

135447-09-5 | 2-[2-(Di-n-octylamino)-2-oxoethoxy]acetic acid

AG007LEQ

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CAS Number	135447-09-5
Catalog Number	AG007LEQ(AGN-PC-0LCU1A)
Chemical Name	2-[2-(Di-n-octylamino)-2-oxoethoxy]acetic acid
IUPAC Name	2-[2-(dioctylamino)-2-oxoethoxy]acetic acid
InChI	InChI=1S/C20H39NO4/c1-3-5-7-9-11-13-15-21(16-14-12-10-8-6-4-2)19(22)17-25-18-20(23)24/h3-18H2,1-2H3,(H,23,24)
InChI Key	KOHUSHSNNOEPFN-UHFFFAOYSA-N
MDL Number	MFCD01104697
Molecular Formula	C20H39NO4
Molecular Weight	357.5280
SMILES	O=C(O)COCC(N(CCCCCCCC)CCCCCCCC)=O
Synonyms	135447-09-5, DODGAA, Acetic acid, [2-(dioctylamino)-2-oxoethoxy]-, N,N-Di-n-octyl-3-oxapentanedioic Acid Monoamide, 2-[2-(Di-n-octylamino)-2-oxoethoxy]acetic Acid, 2-(2-(Dioctylamino)-2-oxoethoxy)acetic acid, 2-[2-(dioctylamino)-2-oxoethoxy]acetic acid, ACMC-20mvrj, AC1NCJKF, N,N-dioctyldiglycolamic acid, SCHEMBL3275169, CTK0B9777, DTXSID70404031, KOHUSHSNNOEPFN-UHFFFAOYSA-N, MFCD01104697, AKOS024365769, ZINC100932599, MCULE-2098587144, KS-000011Y9, D4360, ST50998943, 2-[(N,N-dioctylcarbamoyl)methoxy]acetic acid, N,N-Di-n-octyl-3-oxapentanedioicAcidMonoamide, 2-(dioctylcarbamoylmethoxy)acetic Acid, CID4534750,

Complexity	318
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	357.288g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	357.535g/mol
Monoisotopic Mass	357.288g/mol
Rotatable Bond Count	18
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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