200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 1184987-92-5
1184987-92-5 | 1-(2-pyridinylmethyl)-1,4-diazepane tris(4-methylbenzenesulfonate)
CAS No: 1184987-92-5 Catalog No: AG00J14D MDL No:MFCD11841230
Product Description
Catalog Number:
AG00J14D
Chemical Name:
1-(2-pyridinylmethyl)-1,4-diazepane tris(4-methylbenzenesulfonate)
CAS Number:
1184987-92-5
Molecular Formula:
C32H41N3O9S3
Molecular Weight:
707.8776
MDL Number:
MFCD11841230
IUPAC Name:
4-methylbenzenesulfonic acid;1-(pyridin-2-ylmethyl)-1,4-diazepane
InChI:
InChI=1S/C11H17N3.3C7H8O3S/c1-2-6-13-11(4-1)10-14-8-3-5-12-7-9-14;3*1-6-2-4-7(5-3-6)11(8,9)10/h1-2,4,6,12H,3,5,7-10H2;3*2-5H,1H3,(H,8,9,10)
InChI Key:
HFRIUEKDABSYOT-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)Cc1ccccn1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
707.2g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
707.872g/mol
Monoisotopic Mass:
707.2g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
216A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.