Name: Name:tert-butyl 4-(3-amino-1,1,1-trifluoropropan-2-yl)piperazine-1-carboxylate
Brand: Angene
SKU: AG01B90M
Rating: 90 (10 reviews)

tert-butyl 4-(3-amino-1,1,1-trifluoropropan-2-yl)piperazine-1-carboxylate

CAS No.:

1698595-95-7

Catalog Number:

AG01B90M

Molecular Formula:

C12H22F3N3O2

Molecular Weight:

297.3172

Catalog Number:

AG01B90M

Chemical Name:

tert-butyl 4-(3-amino-1,1,1-trifluoropropan-2-yl)piperazine-1-carboxylate

CAS Number:

1698595-95-7

Molecular Formula:

C12H22F3N3O2

Molecular Weight:

297.3172

MDL Number:

MFCD28348203

IUPAC Name:

tert-butyl 4-(3-amino-1,1,1-trifluoropropan-2-yl)piperazine-1-carboxylate

InChI:

InChI=1S/C12H22F3N3O2/c1-11(2,3)20-10(19)18-6-4-17(5-7-18)9(8-16)12(13,14)15/h9H,4-8,16H2,1-3H3

InChI Key:

ZORBXJGFWLAHBD-UHFFFAOYSA-N

SMILES:

NCC(C(F)(F)F)N1CCN(CC1)C(=O)OC(C)(C)C

Complexity:

334

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

297.166g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

297.322g/mol

Monoisotopic Mass:

297.166g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2