Home Halogens [1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methanamine

[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methanamine

CAS No.:
1017428-37-3
Catalog Number:
AG01A9EA
Molecular Formula:
C12H17ClN2
Molecular Weight:
224.7298
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Product Description
Catalog Number:
AG01A9EA
Chemical Name:
[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methanamine
CAS Number:
1017428-37-3
Molecular Formula:
C12H17ClN2
Molecular Weight:
224.7298
MDL Number:
MFCD09934776
IUPAC Name:
[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methanamine
InChI:
InChI=1S/C12H17ClN2/c1-9-2-3-11(13)6-12(9)15-5-4-10(7-14)8-15/h2-3,6,10H,4-5,7-8,14H2,1H3
InChI Key:
VVHVVRVZRPSGIS-UHFFFAOYSA-N
SMILES:
NCC1CCN(C1)c1cc(Cl)ccc1C
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.108g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.732g/mol
Monoisotopic Mass:
224.108g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties