200,000+ products from a single source!
sales@angenechem.com
1395885-73-0 | Benzoic acid, 4-[[4-[(2-chlorophenyl)methylamino]-2-pyrimidinyl]amino]-, hydrochloride (1:1)
CAS No: 1395885-73-0 Catalog No: AG001BB8 MDL No:
Product Description
Catalog Number:
AG001BB8
Chemical Name:
Benzoic acid, 4-[[4-[(2-chlorophenyl)methylamino]-2-pyrimidinyl]amino]-, hydrochloride (1:1)
CAS Number:
1395885-73-0
Molecular Formula:
C18H16Cl2N4O2
Molecular Weight:
391.2512
IUPAC Name:
4-[[4-(2-chloro-N-methylanilino)pyrimidin-2-yl]amino]benzoic acid;hydrochloride
InChI:
InChI=1S/C18H15ClN4O2.ClH/c1-23(15-5-3-2-4-14(15)19)16-10-11-20-18(22-16)21-13-8-6-12(7-9-13)17(24)25;/h2-11H,1H3,(H,24,25)(H,20,21,22);1H
InChI Key:
SOTTVLAXOAXGGT-UHFFFAOYSA-N
SMILES:
Clc1ccccc1CNc1ccnc(n1)Nc1ccc(cc1)C(=O)O.Cl
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.065g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
391.252g/mol
Monoisotopic Mass:
390.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.