Home Nitros 1H-Imidazole-1-ethanamine, N-(2,2-dimethylpropyl)-β,β-dimethyl-4-nitro-

1H-Imidazole-1-ethanamine, N-(2,2-dimethylpropyl)-β,β-dimethyl-4-nitro-

CAS No.:
865774-15-8
Catalog Number:
AG00GU7R
Molecular Formula:
C12H22N4O2
Molecular Weight:
254.3287
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Product Description
Catalog Number:
AG00GU7R
Chemical Name:
1H-Imidazole-1-ethanamine, N-(2,2-dimethylpropyl)-β,β-dimethyl-4-nitro-
CAS Number:
865774-15-8
Molecular Formula:
C12H22N4O2
Molecular Weight:
254.3287
MDL Number:
MFCD28385912
IUPAC Name:
2,2-dimethyl-N-[2-methyl-2-(4-nitroimidazol-1-yl)propyl]propan-1-amine
InChI:
InChI=1S/C12H22N4O2/c1-11(2,3)7-13-8-12(4,5)15-6-10(14-9-15)16(17)18/h6,9,13H,7-8H2,1-5H3
InChI Key:
XOZGNDPAEOQKOV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncn(c1)C(CNCC(C)(C)C)(C)C
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.174g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.334g/mol
Monoisotopic Mass:
254.174g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties