AG009DEX

Name: 4-Boc-1-[(3-bromobenzene)sulfonyl]homopiperazine
Brand: Angene Chemical
SKU: AG009DEX

1312440-85-9 | 4-Boc-1-[(3-bromobenzene)sulfonyl]homopiperazine

AG009DEX

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CAS Number	1312440-85-9
Catalog Number	AG009DEX(AGN-PC-0WR0MC)
Chemical Name	4-Boc-1-[(3-bromobenzene)sulfonyl]homopiperazine
IUPAC Name	tert-butyl 4-(3-bromophenyl)sulfonyl-1,4-diazepane-1-carboxylate
InChI	InChI=1S/C16H23BrN2O4S/c1-16(2,3)23-15(20)18-8-5-9-19(11-10-18)24(21,22)14-7-4-6-13(17)12-14/h4,6-7,12H,5,8-11H2,1-3H3
InChI Key	OLDWIKWKFZFCOF-UHFFFAOYSA-N
MDL Number	MFCD19288880
Molecular Formula	C16H23BrN2O4S
Molecular Weight	419.3338
SMILES	Brc1cccc(c1)S(=O)(=O)N1CCCN(CC1)C(=O)OC(C)(C)C
Synonyms	1312440-85-9, 4-Boc-1-[(3-bromobenzene)sulfonyl]homopiperazine, tert-Butyl 4-((3-bromophenyl)sulfonyl)-1,4-diazepane-1-carboxylate, ZINC66322934, C-0674,

Complexity	541
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	418.056g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	419.334g/mol
Monoisotopic Mass	418.056g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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