200,000+ products from a single source!
sales@angenechem.com
125603-46-5 | 1-Dodecanaminium, N,N,N-trimethyl-, benzoate (1:1)
CAS No: 125603-46-5 Catalog No: AG000NY4 MDL No:
Product Description
Catalog Number:
AG000NY4
Chemical Name:
1-Dodecanaminium, N,N,N-trimethyl-, benzoate (1:1)
CAS Number:
125603-46-5
Molecular Formula:
C22H39NO2
Molecular Weight:
349.5506
IUPAC Name:
dodecyl(trimethyl)azanium;benzoate
InChI:
InChI=1S/C15H34N.C7H6O2/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;8-7(9)6-4-2-1-3-5-6/h5-15H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1
InChI Key:
ABFYBBRVQXOXIC-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1ccccc1.CCCCCCCCCCCC[N+](C)(C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.298g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.559g/mol
Monoisotopic Mass:
349.298g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
© 2019 Angene International Limited. All rights Reserved.