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1260839-15-3 | 3-Pyrrolidinemethanamine, 1-(phenylmethyl)-3-(trifluoromethyl)-
CAS No: 1260839-15-3 Catalog No: AG000REQ MDL No:
Product Description
Catalog Number:
AG000REQ
Chemical Name:
3-Pyrrolidinemethanamine, 1-(phenylmethyl)-3-(trifluoromethyl)-
CAS Number:
1260839-15-3
Molecular Formula:
C13H17F3N2
Molecular Weight:
258.2827
IUPAC Name:
[1-benzyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanamine
InChI:
InChI=1S/C13H17F3N2/c14-13(15,16)12(9-17)6-7-18(10-12)8-11-4-2-1-3-5-11/h1-5H,6-10,17H2
InChI Key:
OTQDOZSDVVKALL-UHFFFAOYSA-N
SMILES:
NCC1(CCN(C1)Cc1ccccc1)C(F)(F)F
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.134g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.288g/mol
Monoisotopic Mass:
258.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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