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1454690-80-2 | Cyclopropaneethanamine, 1-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1454690-80-2 Catalog No: AG001D1S MDL No:
Product Description
Catalog Number:
AG001D1S
Chemical Name:
Cyclopropaneethanamine, 1-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1454690-80-2
Molecular Formula:
C6H11ClF3N
Molecular Weight:
189.6064
IUPAC Name:
2-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride
InChI:
InChI=1S/C6H10F3N.ClH/c7-6(8,9)5(1-2-5)3-4-10;/h1-4,10H2;1H
InChI Key:
JSSQTAALEADCBS-UHFFFAOYSA-N
SMILES:
NCCC1(CC1)C(F)(F)F.Cl
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.606g/mol
Monoisotopic Mass:
189.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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