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1260806-76-5 | 3-Pyrrolidinemethanamine, 4-methyl-1-(phenylmethyl)-4-(trifluoromethyl)-
CAS No: 1260806-76-5 Catalog No: AG000RBX MDL No:
Product Description
Catalog Number:
AG000RBX
Chemical Name:
3-Pyrrolidinemethanamine, 4-methyl-1-(phenylmethyl)-4-(trifluoromethyl)-
CAS Number:
1260806-76-5
Molecular Formula:
C14H19F3N2
Molecular Weight:
272.3093
IUPAC Name:
[1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
InChI:
InChI=1S/C14H19F3N2/c1-13(14(15,16)17)10-19(9-12(13)7-18)8-11-5-3-2-4-6-11/h2-6,12H,7-10,18H2,1H3
InChI Key:
JDBMWFKHEQIDAK-UHFFFAOYSA-N
SMILES:
NCC1CN(CC1(C)C(F)(F)F)Cc1ccccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.15g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.315g/mol
Monoisotopic Mass:
272.15g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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