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1260751-47-0 | 1-Pyrrolidinecarboxylic acid, 4-(aminomethyl)-3-methyl-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS No: 1260751-47-0 Catalog No: AG000R3V MDL No:
Product Description
Catalog Number:
AG000R3V
Chemical Name:
1-Pyrrolidinecarboxylic acid, 4-(aminomethyl)-3-methyl-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS Number:
1260751-47-0
Molecular Formula:
C12H21F3N2O2
Molecular Weight:
282.3025
IUPAC Name:
tert-butyl 4-(aminomethyl)-3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H21F3N2O2/c1-10(2,3)19-9(18)17-6-8(5-16)11(4,7-17)12(13,14)15/h8H,5-7,16H2,1-4H3
InChI Key:
DRBPWTVZJTZWFG-UHFFFAOYSA-N
SMILES:
NCC1CN(CC1(C)C(F)(F)F)C(=O)OC(C)(C)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.156g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.307g/mol
Monoisotopic Mass:
282.156g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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