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71566-74-0 | 4-(2-chloroethyl-ethyl-amino)benzaldehyde; 4-methylpyridine
CAS No: 71566-74-0 Catalog No: AG005GRD MDL No:
Product Description
Catalog Number:
AG005GRD
Chemical Name:
4-(2-chloroethyl-ethyl-amino)benzaldehyde; 4-methylpyridine
CAS Number:
71566-74-0
Molecular Formula:
C17H21ClN2O
Molecular Weight:
304.8144
IUPAC Name:
4-[2-chloroethyl(ethyl)amino]benzaldehyde;4-methylpyridine
InChI:
InChI=1S/C11H14ClNO.C6H7N/c1-2-13(8-7-12)11-5-3-10(9-14)4-6-11;1-6-2-4-7-5-3-6/h3-6,9H,2,7-8H2,1H3;2-5H,1H3
InChI Key:
NPCKMGXUNZKYFE-UHFFFAOYSA-N
SMILES:
Cc1ccncc1.ClCCN(c1ccc(cc1)C=O)CC
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.134g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.818g/mol
Monoisotopic Mass:
304.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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