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1158215-71-4 | Benzenamine, 4-(1-pyrrolidinyl)-3-(trifluoromethyl)-, hydrochloride (1:2)
CAS No: 1158215-71-4 Catalog No: AG000GWF MDL No:MFCD04117872
Product Description
Catalog Number:
AG000GWF
Chemical Name:
Benzenamine, 4-(1-pyrrolidinyl)-3-(trifluoromethyl)-, hydrochloride (1:2)
CAS Number:
1158215-71-4
Molecular Formula:
C11H15Cl2F3N2
Molecular Weight:
303.1514
MDL Number:
MFCD04117872
IUPAC Name:
4-pyrrolidin-1-yl-3-(trifluoromethyl)aniline;dihydrochloride
InChI:
InChI=1S/C11H13F3N2.2ClH/c12-11(13,14)9-7-8(15)3-4-10(9)16-5-1-2-6-16;;/h3-4,7H,1-2,5-6,15H2;2*1H
InChI Key:
IFCKLFBKZTYXEA-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C(F)(F)F)N1CCCC1.Cl.Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
303.15g/mol
Monoisotopic Mass:
302.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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