Name: Name:Benzenemethanamine, α-methyl-3,5-bis(trifluoromethyl)-, (αS)-
Brand: Angene
SKU: AG000XCU
Rating: 90 (10 reviews)

Benzenemethanamine, α-methyl-3,5-bis(trifluoromethyl)-, (αS)-

CAS No.:

127733-40-8

Catalog Number:

AG000XCU

Molecular Formula:

C10H9F6N

Molecular Weight:

257.1756

Catalog Number:

AG000XCU

Chemical Name:

Benzenemethanamine, α-methyl-3,5-bis(trifluoromethyl)-, (αS)-

CAS Number:

127733-40-8

Molecular Formula:

C10H9F6N

Molecular Weight:

257.1756

MDL Number:

MFCD03093013

IUPAC Name:

(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethanamine

InChI:

InChI=1S/C10H9F6N/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5H,17H2,1H3/t5-/m0/s1

InChI Key:

PFVWEAYXWZFSSK-YFKPBYRVSA-N

SMILES:

C[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.179g/mol

Monoisotopic Mass:

257.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9