Home Halogens [2-amino-1-(4-chlorophenyl)ethyl](methyl)propylamine

[2-amino-1-(4-chlorophenyl)ethyl](methyl)propylamine

CAS No.:
1018308-78-5
Catalog Number:
AG01BA0U
Molecular Formula:
C12H19ClN2
Molecular Weight:
226.7457
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Product Description
Catalog Number:
AG01BA0U
Chemical Name:
[2-amino-1-(4-chlorophenyl)ethyl](methyl)propylamine
CAS Number:
1018308-78-5
Molecular Formula:
C12H19ClN2
Molecular Weight:
226.7457
MDL Number:
MFCD10026192
IUPAC Name:
1-(4-chlorophenyl)-N-methyl-N-propylethane-1,2-diamine
InChI:
InChI=1S/C12H19ClN2/c1-3-8-15(2)12(9-14)10-4-6-11(13)7-5-10/h4-7,12H,3,8-9,14H2,1-2H3
InChI Key:
ZMUSIVGUKBUGIE-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(cc1)Cl)N(CCC)C
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.124g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.748g/mol
Monoisotopic Mass:
226.124g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties