Home Nitros 3-nitro-N-(oxolan-2-ylmethyl)-1,4-dihydropyridin-4-imine

3-nitro-N-(oxolan-2-ylmethyl)-1,4-dihydropyridin-4-imine

CAS No.:
1040064-24-1
Catalog Number:
AG01AHFH
Molecular Formula:
C10H13N3O3
Molecular Weight:
223.2285
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Product Description
Catalog Number:
AG01AHFH
Chemical Name:
3-nitro-N-(oxolan-2-ylmethyl)-1,4-dihydropyridin-4-imine
CAS Number:
1040064-24-1
Molecular Formula:
C10H13N3O3
Molecular Weight:
223.2285
MDL Number:
MFCD26143799
IUPAC Name:
3-nitro-N-(oxolan-2-ylmethyl)pyridin-4-amine
InChI:
InChI=1S/C10H13N3O3/c14-13(15)10-7-11-4-3-9(10)12-6-8-2-1-5-16-8/h3-4,7-8H,1-2,5-6H2,(H,11,12)
InChI Key:
HECKSMIQBAMODJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]ccc1=NCC1CCCO1
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.096g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.232g/mol
Monoisotopic Mass:
223.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties