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14046-49-2 | Benzenemethanamine, N,N-bis(2-chloroethyl)-3,5-dimethoxy-
CAS No: 14046-49-2 Catalog No: AG001CHZ MDL No:
Product Description
Catalog Number:
AG001CHZ
Chemical Name:
Benzenemethanamine, N,N-bis(2-chloroethyl)-3,5-dimethoxy-
CAS Number:
14046-49-2
Molecular Formula:
C13H19Cl2NO2
Molecular Weight:
292.2015
IUPAC Name:
2-chloro-N-(2-chloroethyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
InChI:
InChI=1S/C13H19Cl2NO2/c1-17-12-7-11(8-13(9-12)18-2)10-16(5-3-14)6-4-15/h7-9H,3-6,10H2,1-2H3
InChI Key:
FASWOAUBVKLDNH-UHFFFAOYSA-N
SMILES:
ClCCN(Cc1cc(OC)cc(c1)OC)CCCl
NSC Number:
64373
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.2g/mol
Monoisotopic Mass:
291.079g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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