Home Halogens 1-[3-(aminomethyl)pentan-3-yl]-4-chlorobenzene

1-[3-(aminomethyl)pentan-3-yl]-4-chlorobenzene

CAS No.:
1183814-22-3
Catalog Number:
AG01A99Y
Molecular Formula:
C12H18ClN
Molecular Weight:
211.7310
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Product Description
Catalog Number:
AG01A99Y
Chemical Name:
1-[3-(aminomethyl)pentan-3-yl]-4-chlorobenzene
CAS Number:
1183814-22-3
Molecular Formula:
C12H18ClN
Molecular Weight:
211.7310
MDL Number:
MFCD12774750
IUPAC Name:
2-(4-chlorophenyl)-2-ethylbutan-1-amine
InChI:
InChI=1S/C12H18ClN/c1-3-12(4-2,9-14)10-5-7-11(13)8-6-10/h5-8H,3-4,9,14H2,1-2H3
InChI Key:
SRNUVECLPRIODK-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)Cl)(CN)CC
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.113g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.733g/mol
Monoisotopic Mass:
211.113g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties