Home Halogens Benzenebutanamine, 2,4-dichloro-

Benzenebutanamine, 2,4-dichloro-

CAS No.:
1260850-53-0
Catalog Number:
AG000RGL
Molecular Formula:
C10H13Cl2N
Molecular Weight:
218.1229
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Product Description
Catalog Number:
AG000RGL
Chemical Name:
Benzenebutanamine, 2,4-dichloro-
CAS Number:
1260850-53-0
Molecular Formula:
C10H13Cl2N
Molecular Weight:
218.1229
MDL Number:
MFCD11846550
IUPAC Name:
4-(2,4-dichlorophenyl)butan-1-amine
InChI:
InChI=1S/C10H13Cl2N/c11-9-5-4-8(10(12)7-9)3-1-2-6-13/h4-5,7H,1-3,6,13H2
InChI Key:
MSTSHIHUFNUUMJ-UHFFFAOYSA-N
SMILES:
NCCCCc1ccc(cc1Cl)Cl
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.121g/mol
Monoisotopic Mass:
217.043g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties