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Reference substances

Currently viewing:
IUPAC name:
trans-(1R,2S)-2-(3,4-difluorophenyl-cyclopropanaminium (2R)-
2-hydroxy-2-phenylethanoate

Inventory

EC number:
454-140-6
EC name:
-
CAS number:
-
Description:
C3RO
CAS number:
376608-71-8
Synonyms
Names:
2-(3,4-difluorophenyl) cyclopropylamine mandelate
AR-C124896RO
C3RO
Identifier:
IUPAC name
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (R)-2-hydroxy-2-phenylacetate
Identifier:
IUPAC name
(1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine (R)-2-hydroxy-2-phenyl acetate
Identifier:
IUPAC name
trans-(1R,2S)-2-(3,4-difluorophenyl-cyclopropanaminium (2R)-2-hydroxy-2-phenylethanoate
Identifier:
other: Molecular formula
C17 H17 F2 N O3
Identifier:
other: Molecular formula
C17H17F2NO3
Identifier:
other: Molecular formula
C9H9F2N * C8H8O3
Identifier:
other: SMILES notation
N[C@H]1[C@H](C2=CC=C(F)C(F)=C2)C1.O=C(O)[C@H](O)C3=CC=CC=C3
Identifier:
other: SMILES notation
[NH3+][C@@H]2C[C@H]2c1cc(F)c(F)cc1.[O-]C(=O)[C@H](O)c1ccccc1

Molecular and structural information

Molecular formula:
C9H9F2N*C8H8O3
Molecular weight:
321.33
SMILES notation:
[NH3+][C@@H]2C[C@H]2c1cc(F)c(F)cc1.[O-]C(=O)[C@H](O)c1ccccc1
InChl:
InChI=1S/C9H9F2N.C8H8O3/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,6,9H,4,12H2;1-5,7,9H,(H,10,11)/t6-,9+;7-/m01/s1
Structural formula:
Chemical structure

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