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1263279-91-9 | 1-Azetidineethanamine, β-(trifluoromethyl)-
CAS No: 1263279-91-9 Catalog No: AG000SL3 MDL No:
Product Description
Catalog Number:
AG000SL3
Chemical Name:
1-Azetidineethanamine, β-(trifluoromethyl)-
CAS Number:
1263279-91-9
Molecular Formula:
C6H11F3N2
Molecular Weight:
168.1601
IUPAC Name:
2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine
InChI:
InChI=1S/C6H11F3N2/c7-6(8,9)5(4-10)11-2-1-3-11/h5H,1-4,10H2
InChI Key:
BVVNZGJNHPMVQN-UHFFFAOYSA-N
SMILES:
NCC(C(F)(F)F)N1CCC1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.087g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.163g/mol
Monoisotopic Mass:
168.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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