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1260803-04-0 | 3-Pyrrolidinamine, 4-methyl-1-(phenylmethyl)-4-(trifluoromethyl)-
CAS No: 1260803-04-0 Catalog No: AG000RBA MDL No:
Product Description
Catalog Number:
AG000RBA
Chemical Name:
3-Pyrrolidinamine, 4-methyl-1-(phenylmethyl)-4-(trifluoromethyl)-
CAS Number:
1260803-04-0
Molecular Formula:
C13H17F3N2
Molecular Weight:
258.2827
IUPAC Name:
1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-amine
InChI:
InChI=1S/C13H17F3N2/c1-12(13(14,15)16)9-18(8-11(12)17)7-10-5-3-2-4-6-10/h2-6,11H,7-9,17H2,1H3
InChI Key:
CZGZLVAKCFYPMR-UHFFFAOYSA-N
SMILES:
NC1CN(CC1(C)C(F)(F)F)Cc1ccccc1
Properties
Complexity:
287
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:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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