8-Methoxy-2-(N-n-propyl-N-3-(2-nitro-4-azidophenyl)aminopropyl)aminotetralin
Basic information
- CAS
106073-66-9- Standard SMILES
CCCN(CCCNc1ccc(N=[N+]=[N-])cc1[N+](=O)[O-])C1CCc2cccc(OC)c2C1- InChIKey
NSSKXPZJFSGUMR-UHFFFAOYSA-N- Molecular formula
- C23H30N6O3
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.23793884
Overview
structure given in first source
Names & identifiers
- Preferred name
- 8-Methoxy-2-(N-n-propyl-N-3-(2-nitro-4-azidophenyl)aminopropyl)aminotetralin
- IUPAC
- N-(4-azido-2-nitrophenyl)-N'-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N'-propylpropane-1,3-diamine
- English name
- 8-methoxy-2-(N-n-propyl-N-3-(2-nitro-4-azidophenyl)aminopropyl)aminotetralin
- Molecular weight
- 0
Names & synonyms
8-M-Nap-apat106073-66-98-Methoxy-3'-nap-amino-pat8-Methoxy-2-(N-n-propyl-N-3-(2-nitro-4-azidophenyl)aminopropyl)aminotetralinRefChem:107227DTXSID70909894N~3~-(4-Azido-2-nitrophenyl)-N~1~-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N~1~-propylpropane-1,3-diamine
Database identifiers
- CAS
106073-66-9- PubChem CID
- 3035902
- DTXSID
DTXSID70909894
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 638
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Compound notes
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