200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 657350-42-0
657350-42-0 | 3-NITRO-2,6-DIPIPERIDINOBENZOIC ACID
CAS No: 657350-42-0 Catalog No: AG00FB3V MDL No:MFCD00119299
Product Description
Catalog Number:
AG00FB3V
Chemical Name:
3-NITRO-2,6-DIPIPERIDINOBENZOIC ACID
CAS Number:
657350-42-0
Molecular Formula:
C17H23N3O4
Molecular Weight:
333.3822
MDL Number:
MFCD00119299
IUPAC Name:
3-nitro-2,6-di(piperidin-1-yl)benzoic acid
InChI:
InChI=1S/C17H23N3O4/c21-17(22)15-13(18-9-3-1-4-10-18)7-8-14(20(23)24)16(15)19-11-5-2-6-12-19/h7-8H,1-6,9-12H2,(H,21,22)
InChI Key:
SKTHCPBVBGSUEW-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(ccc(c1N1CCCCC1)[N+](=O)[O-])N1CCCCC1
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.169g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.388g/mol
Monoisotopic Mass:
333.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.