Text Search
Structure Search

methyl 3-cyclohexyl-2-[(3-nitropyridin-2-yl)amino]propanoate

methyl 3-cyclohexyl-2-[(3-nitropyridin-2-yl)amino]propanoate

CAS: 318949-40-5

Formula: C15H21N3O4

SMILES: COC(=O)C(CC1CCCCC1)NC1=C(C=CC=N1)[N+]([O-])=O

IUPAC: methyl 3-cyclohexyl-2-[(3-nitropyridin-2-yl)amino]propanoate

InChI: InChI=1/C15H21N3O4/c1-22-15(19)12(10-11-6-3-2-4-7-11)17-14-13(18(20)21)8-5-9-16-14/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,16,17)

Composition: C (58.62%), H (6.89%), N (13.67%), O (20.82%)

Molar Mass: 307.35

Atom Count: 43

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 307.153206168
Formal Charge 0
FSP3 0.6
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey WLPJQKWBQLOJER-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.75
Topological Polar Surface Area 94.36
Polarizability 30.94
Ring Count 2
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 318949-40-5 $51.35-$86.31$51.35$63.37$86.31
Request Quote