Benzenemethanaminium, N,N-bis(3-aminopropyl)-3-(2-(2-hydroxy-3-(((2-methoxyphenyl)amino)carbonyl)-1-naphthalenyl)diazenyl)-4-methoxy-N-methyl-, chloride (1:1)
Basic information
- CAS
40948-95-6- Standard SMILES
COc1ccc(C[N+](C)(CCCN)CCCN)cc1N=Nc1c(O)c(C(=O)Nc2ccccc2OC)cc2ccccc12.[Cl-]- InChIKey
ZYSPBVNAHXGHFC-UHFFFAOYSA-N- Molecular formula
- C33H41ClN6O4
- Average molar mass
- 621.2 g/mol
- Monoisotopic mass
- 620.2877815
Names & identifiers
- Preferred name
- Benzenemethanaminium, N,N-bis(3-aminopropyl)-3-(2-(2-hydroxy-3-(((2-methoxyphenyl)amino)carbonyl)-1-naphthalenyl)diazenyl)-4-methoxy-N-methyl-, chloride (1:1)
- IUPAC
- bis(3-aminopropyl)-[[3-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-4-methoxyphenyl]methyl]-methylazanium chloride
Names & synonyms
40948-95-6EINECS 255-155-9DTXSID70885826Benzenemethanaminium, N,N-bis(3-aminopropyl)-3-((2-hydroxy-3-(((2-methoxyphenyl)amino)carbonyl)-1-naphthalenyl)azo)-4-methoxy-N-methyl-, chlorideBenzenemethanaminium, N,N-bis(3-aminopropyl)-3-(2-(2-hydroxy-3-(((2-methoxyphenyl)amino)carbonyl)-1-naphthalenyl)diazenyl)-4-methoxy-N-methyl-, chloride (1:1)Benzenemethanaminium, N,N-bis(3-aminopropyl)-3-[[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthalenyl]azo]-4-methoxy-N-methyl-, chlorideBenzenemethanaminium, N,N-bis(3-aminopropyl)-3-[2-[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-4-methoxy-N-methyl-, chloride (1:1)RefChem:117631DTXCID901025187Bis(3-aminopropyl)[3-[[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthyl]azo]-4-methoxybenzyl]methylammonium chlorideBis(3-aminopropyl)(3-((2-hydroxy-3-(((2-methoxyphenyl)amino)carbonyl)-1-naphthyl)azo)-4-methoxybenzyl)methylammonium chlorideNS00056926
Show more names
3-Amino-N-(3-aminopropyl)-N-{[3-({2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl}diazenyl)-4-methoxyphenyl]methyl}-N-methylpropan-1-aminium chloride
Properties
Computed structural properties
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 868
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanaminium, N,N-bis(3-aminopropyl)-3-[2-[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-4-methoxy-N-methyl-, chloride (1:1): INACTIVE
Related reactions
0 records
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Compound notes
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