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1260901-24-3 | 1-Pyrrolidinecarboxylic acid, 3-(aminomethyl)-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS No: 1260901-24-3 Catalog No: AG000RLB MDL No:MFCD11848049
Product Description
Catalog Number:
AG000RLB
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(aminomethyl)-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS Number:
1260901-24-3
Molecular Formula:
C11H19F3N2O2
Molecular Weight:
268.2760
MDL Number:
MFCD11848049
IUPAC Name:
tert-butyl 3-(aminomethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H19F3N2O2/c1-9(2,3)18-8(17)16-5-4-10(6-15,7-16)11(12,13)14/h4-7,15H2,1-3H3
InChI Key:
AHOVYALWYSSMRR-UHFFFAOYSA-N
SMILES:
NCC1(CCN(C1)C(=O)OC(C)(C)C)C(F)(F)F
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.14g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.28g/mol
Monoisotopic Mass:
268.14g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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