1H-Indazole-1-ethanamine, N,N-dimethyl-5-nitro-

HCID 215740
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Basic information

CAS
36173-99-6
Standard SMILES
CN(C)CCn1ncc2cc([N+](=O)[O-])ccc21
InChIKey
BHCKWNCABQSFOK-UHFFFAOYSA-N
Molecular formula
C11H14N4O2
Average molar mass
234.25 g/mol
Monoisotopic mass
234.11167569

Names & identifiers

Preferred name
1H-Indazole-1-ethanamine, N,N-dimethyl-5-nitro-
IUPAC
N,N-dimethyl-2-(5-nitroindazol-1-yl)ethanamine

Names & synonyms

1H-Indazole-1-ethanamine, N,N-dimethyl-5-nitro-36173-99-6dimethyl-[2-(5-nitro-indazol-1-yl)-ethyl]-amineSCHEMBL6069724SCHEMBL29533974DTXSID60276901BHCKWNCABQSFOK-UHFFFAOYSA-NN,N-Dimethyl-2-(5-nitro-1H-indazol-1-yl)ethan-1-amine

Database identifiers

CAS
36173-99-6
PubChem CID
215740
DTXSID
DTXSID60276901

Properties

Computed structural propertiesFilling in

XLogP
1.4
Topological polar surface area
66.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
17

Related reactions

4 records
New reaction record

Compound notes

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