200,000+ products from a single source!

sales@angenechem.com

Home > Amines > 114374-06-0

114374-06-0

114374-06-0 | 1-Docosanol, 1-(4-aminobenzoate)

CAS No: 114374-06-0 Catalog No: AG000B71 MDL No:

Product Description

Catalog Number:
AG000B71
Chemical Name:
1-Docosanol, 1-(4-aminobenzoate)
CAS Number:
114374-06-0
Molecular Formula:
C29H53NO3
Molecular Weight:
463.7360
IUPAC Name:
4-aminobenzoic acid;docosan-1-ol
InChI:
InChI=1S/C22H46O.C7H7NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23;8-6-3-1-5(2-4-6)7(9)10/h23H,2-22H2,1H3;1-4H,8H2,(H,9,10)
InChI Key:
XMCMDSVCLRZAFF-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C(=O)O.CCCCCCCCCCCCCCCCCCCCCCO

Properties

Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.403g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
463.747g/mol
Monoisotopic Mass:
463.403g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Related Products

© 2019 Angene International Limited. All rights Reserved.