200,000+ products from a single source!
sales@angenechem.com
126002-18-4 | Benzeneethanamine, 4-[2-(dimethylamino)ethoxy]-N,α-dimethyl-, ethanedioate (1:2)
CAS No: 126002-18-4 Catalog No: AG000QR1 MDL No:
Product Description
Catalog Number:
AG000QR1
Chemical Name:
Benzeneethanamine, 4-[2-(dimethylamino)ethoxy]-N,α-dimethyl-, ethanedioate (1:2)
CAS Number:
126002-18-4
Molecular Formula:
C18H28N2O9
Molecular Weight:
416.4229
IUPAC Name:
1-[4-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-2-amine;oxalic acid
InChI:
InChI=1S/C14H24N2O.2C2H2O4/c1-12(15-2)11-13-5-7-14(8-6-13)17-10-9-16(3)4;2*3-1(4)2(5)6/h5-8,12,15H,9-11H2,1-4H3;2*(H,3,4)(H,5,6)
InChI Key:
PLWWFUGIHYPJCK-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.OC(=O)C(=O)O.CNC(Cc1ccc(cc1)OCCN(C)C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.179g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
416.427g/mol
Monoisotopic Mass:
416.179g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.