Home Other Building Blocks 4,4,4-trifluorobutane-1,3-diamine dihydrochloride

4,4,4-trifluorobutane-1,3-diamine dihydrochloride

CAS No.:
1311316-33-2
Catalog Number:
AG01AHEH
Molecular Formula:
C4H11Cl2F3N2
Molecular Weight:
215.0447
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Product Description
Catalog Number:
AG01AHEH
Chemical Name:
4,4,4-trifluorobutane-1,3-diamine dihydrochloride
CAS Number:
1311316-33-2
Molecular Formula:
C4H11Cl2F3N2
Molecular Weight:
215.0447
MDL Number:
MFCD18483310
IUPAC Name:
4,4,4-trifluorobutane-1,3-diamine;dihydrochloride
InChI:
InChI=1S/C4H9F3N2.2ClH/c5-4(6,7)3(9)1-2-8;;/h3H,1-2,8-9H2;2*1H
InChI Key:
BFUUYDNVHPDETI-UHFFFAOYSA-N
SMILES:
NCCC(C(F)(F)F)N.Cl.Cl
Properties
Complexity:
80.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
215.041g/mol
Monoisotopic Mass:
214.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties