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823189-91-9 | 1-Pyrrolidineethanamine, N-(2,4-dichlorophenyl)-
CAS No: 823189-91-9 Catalog No: AG005FDQ MDL No:
Product Description
Catalog Number:
AG005FDQ
Chemical Name:
1-Pyrrolidineethanamine, N-(2,4-dichlorophenyl)-
CAS Number:
823189-91-9
Molecular Formula:
C12H16Cl2N2
Molecular Weight:
259.1748
IUPAC Name:
2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
InChI:
InChI=1S/C12H16Cl2N2/c13-10-3-4-12(11(14)9-10)15-5-8-16-6-1-2-7-16/h3-4,9,15H,1-2,5-8H2
InChI Key:
MKGNUKKIQIPYCE-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)NCCN1CCCC1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.174g/mol
Monoisotopic Mass:
258.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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