Home Sulfos 1,4-bis(4-methylbenzenesulfonyl)-1,4-diazepan-6-amine hydrochloride

1,4-bis(4-methylbenzenesulfonyl)-1,4-diazepan-6-amine hydrochloride

CAS No.:
1909319-50-1
Catalog Number:
AG01C1JO
Molecular Formula:
C19H26ClN3O4S2
Molecular Weight:
460.0104
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Product Description
Catalog Number:
AG01C1JO
Chemical Name:
1,4-bis(4-methylbenzenesulfonyl)-1,4-diazepan-6-amine hydrochloride
CAS Number:
1909319-50-1
Molecular Formula:
C19H26ClN3O4S2
Molecular Weight:
460.0104
MDL Number:
MFCD29047339
IUPAC Name:
1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepan-6-amine;hydrochloride
InChI:
InChI=1S/C19H25N3O4S2.ClH/c1-15-3-7-18(8-4-15)27(23,24)21-11-12-22(14-17(20)13-21)28(25,26)19-9-5-16(2)6-10-19;/h3-10,17H,11-14,20H2,1-2H3;1H
InChI Key:
KRXYWZBVGPKWRT-UHFFFAOYSA-N
SMILES:
NC1CN(CCN(C1)S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C.Cl
Properties
Complexity:
651  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.105g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
460.004g/mol
Monoisotopic Mass:
459.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties