Name: Name:Propanoic acid, 2,2-dimethyl-, 4-(2-aminoethyl)phenyl ester,trifluoroacetate (salt)
Brand: Angene
SKU: AG00HVGW
Rating: 90 (10 reviews)

Propanoic acid, 2,2-dimethyl-, 4-(2-aminoethyl)phenyl ester,trifluoroacetate (salt)

CAS No.:

139181-42-3

Catalog Number:

AG00HVGW

Molecular Formula:

C15H20F3NO4

Molecular Weight:

335.3188

Catalog Number:

AG00HVGW

Chemical Name:

Propanoic acid, 2,2-dimethyl-, 4-(2-aminoethyl)phenyl ester,trifluoroacetate (salt)

CAS Number:

139181-42-3

Molecular Formula:

C15H20F3NO4

Molecular Weight:

335.3188

MDL Number:

MFCD28991965

IUPAC Name:

[4-(2-aminoethyl)phenyl] 2,2-dimethylpropanoate;2,2,2-trifluoroacetic acid

InChI:

InChI=1S/C13H19NO2.C2HF3O2/c1-13(2,3)12(15)16-11-6-4-10(5-7-11)8-9-14;3-2(4,5)1(6)7/h4-7H,8-9,14H2,1-3H3;(H,6,7)

InChI Key:

USJJHVHYUMVDIS-UHFFFAOYSA-N

SMILES:

OC(=O)C(F)(F)F.NCCc1ccc(cc1)OC(=O)C(C)(C)C

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

335.134g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

335.323g/mol

Monoisotopic Mass:

335.134g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: