Home Aminos methyl 3-amino-4-(pyrrolidin-1-yl)benzoate

methyl 3-amino-4-(pyrrolidin-1-yl)benzoate

CAS No.:
123986-65-2
Catalog Number:
AG019KGG
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
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Product Description
Catalog Number:
AG019KGG
Chemical Name:
methyl 3-amino-4-(pyrrolidin-1-yl)benzoate
CAS Number:
123986-65-2
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD09040427
IUPAC Name:
methyl 3-amino-4-pyrrolidin-1-ylbenzoate
InChI:
InChI=1S/C12H16N2O2/c1-16-12(15)9-4-5-11(10(13)8-9)14-6-2-3-7-14/h4-5,8H,2-3,6-7,13H2,1H3
InChI Key:
YUNBFGSIPUOKRU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)N)N1CCCC1
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties