Home Halogens rac-(4R,5S)-4-amino-5-(3,4-dichlorophenyl)-1-methylpyrrolidin-2-one hydrochloride, trans

rac-(4R,5S)-4-amino-5-(3,4-dichlorophenyl)-1-methylpyrrolidin-2-one hydrochloride, trans

CAS No.:
1807882-37-6
Catalog Number:
AG01BIHP
Molecular Formula:
C11H13Cl3N2O
Molecular Weight:
295.5927
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Product Description
Catalog Number:
AG01BIHP
Chemical Name:
rac-(4R,5S)-4-amino-5-(3,4-dichlorophenyl)-1-methylpyrrolidin-2-one hydrochloride, trans
CAS Number:
1807882-37-6
Molecular Formula:
C11H13Cl3N2O
Molecular Weight:
295.5927
MDL Number:
MFCD28118777
IUPAC Name:
(4S,5S)-4-amino-5-(3,4-dichlorophenyl)-1-methylpyrrolidin-2-one;hydrochloride
InChI:
InChI=1S/C11H12Cl2N2O.ClH/c1-15-10(16)5-9(14)11(15)6-2-3-7(12)8(13)4-6;/h2-4,9,11H,5,14H2,1H3;1H/t9-,11-;/m0./s1
InChI Key:
IXPQYOQCRLDDDR-ROLPUNSJSA-N
SMILES:
N[C@H]1CC(=O)N([C@@H]1c1ccc(c(c1)Cl)Cl)C.Cl
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
294.009g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
295.588g/mol
Monoisotopic Mass:
294.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties