1-Azulenecarboxamide, N-(2-(diethylamino)ethyl)-3-nitro-, hydrochloride
Basic information
- CAS
54805-30-0- Standard SMILES
CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])c2cccccc1-2.[Cl-]- InChIKey
KVJKGQCBJREQSA-UHFFFAOYSA-N- Molecular formula
- C17H22ClN3O3
- Average molar mass
- 351.8 g/mol
- Monoisotopic mass
- 351.1349693
Names & identifiers
- Preferred name
- 1-Azulenecarboxamide, N-(2-(diethylamino)ethyl)-3-nitro-, hydrochloride
- IUPAC
- diethyl-[2-[(3-nitroazulene-1-carbonyl)amino]ethyl]azanium chloride
Names & synonyms
1-(2-(Diethylamino)ethyl)-3-nitroazulenecarboxamide hydrochlorideN-(2-(Diethylamino)ethyl)-3-nitro-1-azulenecarboxamide hydrochloride1-AZULENECARBOXAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-3-NITRO-, HYDROCHLORIDE54805-30-0RefChem:227765
Database identifiers
- CAS
54805-30-0- PubChem CID
- 41186
Properties
Computed structural properties
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 406
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Compound notes
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