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2055841-10-4 | Cyclopropanamine, 2-(3-ethoxy-4-fluorophenyl)-, hydrochloride (1:1), (1R,2S)-rel-
CAS No: 2055841-10-4 Catalog No: AG002A84 MDL No:
Product Description
Catalog Number:
AG002A84
Chemical Name:
Cyclopropanamine, 2-(3-ethoxy-4-fluorophenyl)-, hydrochloride (1:1), (1R,2S)-rel-
CAS Number:
2055841-10-4
Molecular Formula:
C11H15ClFNO
Molecular Weight:
231.6943
IUPAC Name:
(1S,2R)-2-(3-ethoxy-4-fluorophenyl)cyclopropan-1-amine;hydrochloride
InChI:
InChI=1S/C11H14FNO.ClH/c1-2-14-11-5-7(3-4-9(11)12)8-6-10(8)13;/h3-5,8,10H,2,6,13H2,1H3;1H/t8-,10+;/m1./s1
InChI Key:
CHISMAVKDNRNCY-SCYNACPDSA-N
SMILES:
CCOc1cc(ccc1F)[C@H]1C[C@@H]1N.Cl
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
231.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.695g/mol
Monoisotopic Mass:
231.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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