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80395-40-0 | 1-Butanamine, N-(2,2,2-trifluoroethyl)-
CAS No: 80395-40-0 Catalog No: AG0053CM MDL No:MFCD09946800
Product Description
Catalog Number:
AG0053CM
Chemical Name:
1-Butanamine, N-(2,2,2-trifluoroethyl)-
CAS Number:
80395-40-0
Molecular Formula:
C6H12F3N
Molecular Weight:
155.1614
MDL Number:
MFCD09946800
IUPAC Name:
N-(2,2,2-trifluoroethyl)butan-1-amine
InChI:
InChI=1S/C6H12F3N/c1-2-3-4-10-5-6(7,8)9/h10H,2-5H2,1H3
InChI Key:
VBKFRZZEICMFFH-UHFFFAOYSA-N
SMILES:
CCCCNCC(F)(F)F
Properties
Complexity:
79.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.092g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.164g/mol
Monoisotopic Mass:
155.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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