Bhc-9C
Basic information
- CAS
104807-41-2- Standard SMILES
COc1ccccc1CNCCCCCCNCCCCCCCCCNCCCCCCNCc1ccccc1OC- InChIKey
HBSRKMYFWZTMRQ-UHFFFAOYSA-N- Molecular formula
- C37H64N4O2
- Average molar mass
- 596.9 g/mol
- Monoisotopic mass
- 596.5029273
Overview
RN from Toxline; structure given in first source
Names & identifiers
- Preferred name
- Bhc-9C
- IUPAC
- N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]nonane-1,9-diamine
- English name
- BHC-9C
- Molecular formula
- C37H64N4O2
- Molecular weight
- 596.93
Names & synonyms
Bhc-9C104807-41-2N,N'-Di-(6-((2-methoxybenzyl)amino)hexyl)-1,9-nonanediamine tetrahydrochlorideDTXSID80146753RefChem:119597DTXCID6069244N~1~,N~9~-Bis(6-{[(2-methoxyphenyl)methyl]amino}hexyl)nonane-1,9-diamineN,N'-Bis[6-[[(2-methoxyphenyl)methyl]amino]hexyl]-1,9-nonanediamine1,9-Nonanediamine, N1,N9-bis[6-[[(2-methoxyphenyl)methyl]amino]hexyl]-
Database identifiers
- CAS
104807-41-2- PubChem CID
- 128679
- DTXSID
DTXSID80146753- Nikkaji
- J227.591K
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 30
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 533
Physicochemical properties
- Boiling point
- 684.8 · 684.8±55.0 °C(Predicted)
- Density
- 0.974 · 0.974±0.06 g/cm3(Predicted)
- pka
- 11.13 · 11.13±0.19(Predicted)
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Related reactions
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Compound notes
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