Home Other Building Blocks 2,2,2-trifluoroethyl N-[2-(pyrrolidin-1-yl)pyridin-3-yl]carbamate hydrochloride

2,2,2-trifluoroethyl N-[2-(pyrrolidin-1-yl)pyridin-3-yl]carbamate hydrochloride

CAS No.:
1311315-79-3
Catalog Number:
AG01AH8A
Molecular Formula:
C12H15ClF3N3O2
Molecular Weight:
325.7146
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Product Description
Catalog Number:
AG01AH8A
Chemical Name:
2,2,2-trifluoroethyl N-[2-(pyrrolidin-1-yl)pyridin-3-yl]carbamate hydrochloride
CAS Number:
1311315-79-3
Molecular Formula:
C12H15ClF3N3O2
Molecular Weight:
325.7146
MDL Number:
MFCD18483242
IUPAC Name:
2,2,2-trifluoroethyl N-(2-pyrrolidin-1-ylpyridin-3-yl)carbamate;hydrochloride
InChI:
InChI=1S/C12H14F3N3O2.ClH/c13-12(14,15)8-20-11(19)17-9-4-3-5-16-10(9)18-6-1-2-7-18;/h3-5H,1-2,6-8H2,(H,17,19);1H
InChI Key:
POKLJBMOJZCDRM-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccnc1N1CCCC1)OCC(F)(F)F.Cl
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.08g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
325.716g/mol
Monoisotopic Mass:
325.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties