Home Other Building Blocks 1-N-butyl-4-(trifluoromethyl)benzene-1,2-diamine hydrochloride

1-N-butyl-4-(trifluoromethyl)benzene-1,2-diamine hydrochloride

CAS No.:
1172021-00-9
Catalog Number:
AG019HRB
Molecular Formula:
C11H16ClF3N2
Molecular Weight:
268.7063
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Product Description
Catalog Number:
AG019HRB
Chemical Name:
1-N-butyl-4-(trifluoromethyl)benzene-1,2-diamine hydrochloride
CAS Number:
1172021-00-9
Molecular Formula:
C11H16ClF3N2
Molecular Weight:
268.7063
MDL Number:
MFCD08448131
IUPAC Name:
1-N-butyl-4-(trifluoromethyl)benzene-1,2-diamine;hydrochloride
InChI:
InChI=1S/C11H15F3N2.ClH/c1-2-3-6-16-10-5-4-8(7-9(10)15)11(12,13)14;/h4-5,7,16H,2-3,6,15H2,1H3;1H
InChI Key:
JSOMSLOWXGOLCM-UHFFFAOYSA-N
SMILES:
CCCCNc1ccc(cc1N)C(F)(F)F.Cl
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.095g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
268.708g/mol
Monoisotopic Mass:
268.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties