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English
2-(heptan-2-ylamino)-2-methylpropyl 3-nitrobenzoate
chemical compound
2-[(Heptan-2-yl)amino]-2-methylpropyl 3-nitrobenzoate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
336.20490737599994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₈N₂O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCC(C)NC(C)(C)COC(=O)c1cccc([N+](=O)[O-])c1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H28N2O4/c1-5-6-7-9-14(2)19-18(3,4)13-24-17(21)15-10-8-11-16(12-15)20(22)23/h8,10-12,14,19H,5-7,9,13H2,1-4H3
0 references
InChIKey
VMWNXXADTRFVNE-UHFFFAOYSA-N
0 references
CAS Registry Number
6625-13-4
reason for deprecated rank
cannot be confirmed by other sources
0 references
74350-54-2
reason for deprecated rank
deprecated identifier value
0 references
PubChem CID
237744
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
52917112
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80285358
0 references
DTXSID00995886
0 references
DSSTOX compound identifier
DTXCID00236509
0 references
DTXCID20879331
0 references
NSC number
41535
0 references
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