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Home Aminos methyl 3-[(3-nitropyridin-4-yl)amino]propanoate

methyl 3-[(3-nitropyridin-4-yl)amino]propanoate

CAS No.:
1184039-60-8
Catalog Number:
AG019YYY
Molecular Formula:
C9H11N3O4
Molecular Weight:
225.2013
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Product Description
Catalog Number:
AG019YYY
Chemical Name:
methyl 3-[(3-nitropyridin-4-yl)amino]propanoate
CAS Number:
1184039-60-8
Molecular Formula:
C9H11N3O4
Molecular Weight:
225.2013
MDL Number:
MFCD12806953
IUPAC Name:
methyl 3-[(3-nitropyridin-4-yl)amino]propanoate
InChI:
InChI=1S/C9H11N3O4/c1-16-9(13)3-5-11-7-2-4-10-6-8(7)12(14)15/h2,4,6H,3,5H2,1H3,(H,10,11)
InChI Key:
LMLFNGJWVQXNOI-UHFFFAOYSA-N
SMILES:
COC(=O)CCNc1ccncc1[N+](=O)[O-]
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.075g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.204g/mol
Monoisotopic Mass:
225.075g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties