AG00A1F3

Name: 4-APEBA
Brand: Angene Chemical
SKU: AG00A1F3

1226984-28-6 | 4-APEBA

AG00A1F3

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CAS Number	1226984-28-6
Catalog Number	AG00A1F3
Chemical Name	4-APEBA
IUPAC Name	2-(4-azaniumylphenoxy)ethyl-[2-(4-bromophenyl)ethyl]-dimethylazanium;dibromide
InChI	InChI=1S/C18H24BrN2O.2BrH/c1-21(2,12-11-15-3-5-16(19)6-4-15)13-14-22-18-9-7-17(20)8-10-18;;/h3-10H,11-14,20H2,1-2H3;2*1H/q+1;;/p-1
InChI Key	MICAQOBHYBUDOG-UHFFFAOYSA-M
MDL Number	MFCD22580415
Molecular Formula	C18H25Br3N2O
Molecular Weight	525.1159
SMILES	C[N+](C)(CCC1=CC=C(C=C1)Br)CCOC2=CC=C(C=C2)[NH3+].[Br-].[Br-]
Synonyms	4-APEBA, VUF 10996, 4-(2-((4-bromophenethyl)dimethylammonio)ethoxy)benzenaminium bromide, 4-(2-((4-bromophenethyl)dimethylammonio)ethoxy)benzenaminium dibromide, 1226984-28-6, 1227040-19-8,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	523.95g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	525.123g/mol
Monoisotopic Mass	521.952g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	36.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited