200,000+ products from a single source!
sales@angenechem.com
114281-40-2 | Piperidinium, 1-(4-amino-4-oxo-3,3-diphenylbutyl)-1-ethyl-, bromide (1:1)
CAS No: 114281-40-2 Catalog No: AG000AYY MDL No:
Product Description
Catalog Number:
AG000AYY
Chemical Name:
Piperidinium, 1-(4-amino-4-oxo-3,3-diphenylbutyl)-1-ethyl-, bromide (1:1)
CAS Number:
114281-40-2
Molecular Formula:
C23H31BrN2O
Molecular Weight:
431.4090
IUPAC Name:
4-(1-ethylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide;bromide
InChI:
InChI=1S/C23H30N2O.BrH/c1-2-25(17-10-5-11-18-25)19-16-23(22(24)26,20-12-6-3-7-13-20)21-14-8-4-9-15-21;/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3,(H-,24,26);1H
InChI Key:
BHEDJDOZVWXNQT-UHFFFAOYSA-N
SMILES:
CC[N+]1(CCC(c2ccccc2)(c2ccccc2)C(=O)N)CCCCC1.[Br-]
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.162g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.418g/mol
Monoisotopic Mass:
430.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.