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823188-88-1 | 1-Pyrrolidineethanamine, N-[(2-chlorophenyl)methyl]-
CAS No: 823188-88-1 Catalog No: AG004ZJM MDL No:
Product Description
Catalog Number:
AG004ZJM
Chemical Name:
1-Pyrrolidineethanamine, N-[(2-chlorophenyl)methyl]-
CAS Number:
823188-88-1
Molecular Formula:
C13H19ClN2
Molecular Weight:
238.7564
IUPAC Name:
N-[(2-chlorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
InChI:
InChI=1S/C13H19ClN2/c14-13-6-2-1-5-12(13)11-15-7-10-16-8-3-4-9-16/h1-2,5-6,15H,3-4,7-11H2
InChI Key:
LOAGYWOUYSOKAJ-UHFFFAOYSA-N
SMILES:
Clc1ccccc1CNCCN1CCCC1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.124g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.759g/mol
Monoisotopic Mass:
238.124g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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