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CHEBI:92280 - 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine

ChEBI IDCHEBI:92280
ChEBI Name3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine
Stars
Last Modified12 May 2016
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FormulaC19H22N4O4
Net Charge0
Average Mass370.409
Monoisotopic Mass370.16411
SMILESCN(C)CCCN1c2ccc([N+](=O)[O-])cc2CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C19H22N4O4/c1-20(2)10-3-11-21-18-8-6-16(22(24)25)12-14(18)4-5-15-13-17(23(26)27)7-9-19(15)21/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKeyMKXUVDRBPODBNG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine (CHEBI:92280) is a C-nitro compound (CHEBI:35716)
3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine (CHEBI:92280) is a dibenzoazepine (CHEBI:47804)
3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine (CHEBI:92280) is a tertiary amino compound (CHEBI:50996)
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