Home Carboxys rac-(3R,4S)-1-benzyl-4-(1,3-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid dihydrochloride, trans

rac-(3R,4S)-1-benzyl-4-(1,3-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid dihydrochloride, trans

CAS No.:
2059909-42-9
Catalog Number:
AG01BS19
Molecular Formula:
C17H23Cl2N3O2
Molecular Weight:
372.2894
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Product Description
Catalog Number:
AG01BS19
Chemical Name:
rac-(3R,4S)-1-benzyl-4-(1,3-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid dihydrochloride, trans
CAS Number:
2059909-42-9
Molecular Formula:
C17H23Cl2N3O2
Molecular Weight:
372.2894
MDL Number:
MFCD30536002
IUPAC Name:
(3S,4R)-1-benzyl-4-(1,3-dimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C17H21N3O2.2ClH/c1-12-14(9-19(2)18-12)15-10-20(11-16(15)17(21)22)8-13-6-4-3-5-7-13;;/h3-7,9,15-16H,8,10-11H2,1-2H3,(H,21,22);2*1H/t15-,16+;;/m0../s1
InChI Key:
GWVHPLNWEGXKBO-SLAHTUFOSA-N
SMILES:
Cn1cc(c(n1)C)[C@@H]1CN(C[C@H]1C(=O)O)Cc1ccccc1.Cl.Cl
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
371.117g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
372.29g/mol
Monoisotopic Mass:
371.117g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties