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1402222-66-5 | Cyclopropanamine, 2-(3,4-difluorophenyl)-, hydrochloride (1:1), (1R,2S)-
CAS No: 1402222-66-5 Catalog No: AG001C68 MDL No:MFCD16875501
Product Description
Catalog Number:
AG001C68
Chemical Name:
Cyclopropanamine, 2-(3,4-difluorophenyl)-, hydrochloride (1:1), (1R,2S)-
CAS Number:
1402222-66-5
Molecular Formula:
C18H20Cl2F4N2
Molecular Weight:
411.2644
MDL Number:
MFCD16875501
IUPAC Name:
(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine;hydrochloride
InChI:
InChI=1S/C9H9F2N.ClH/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;/h1-3,6,9H,4,12H2;1H/t6-,9+;/m0./s1
InChI Key:
IMYLOCHFFLYHPS-RDNZEXAOSA-N
SMILES:
N[C@@H]1C[C@H]1c1ccc(c(c1)F)F.N[C@@H]1C[C@H]1c1ccc(c(c1)F)F.Cl.Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
205.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.633g/mol
Monoisotopic Mass:
205.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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