N,N,N'-Trimethyl-N'-(2-hydroxy-3-methyl-5-iodo-benzyl)-1,3-propandiamine dihydrochloride
Basic information
- CAS
89815-43-0- Standard SMILES
Cc1cc(I)cc(CN(C)CCCN(C)C)c1O.Cl.Cl- InChIKey
SXPLHSWEPJPKDJ-UHFFFAOYSA-N- Molecular formula
- C14H25Cl2IN2O
- Average molar mass
- 435.2 g/mol
- Monoisotopic mass
- 434.03887
Names & identifiers
- Preferred name
- N,N,N'-Trimethyl-N'-(2-hydroxy-3-methyl-5-iodo-benzyl)-1,3-propandiamine dihydrochloride
- IUPAC
- 2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride
- English name
- N,N,N'-Trimethyl-N'-(2-hydroxy-3-methyl-5-iodo-benzyl)-1,3-propanediamine dihydrochloride
- Molecular formula
- C14H25Cl2IN2O
- Molecular weight
- 435.17
Names & synonyms
89815-43-01-(2-Hydroxy-5-iodo-3-methylbenzyl)-1,3,3-trimethylpropanediamine dihydrochloride2-(((3-(Dimethylamino)propyl)(methyl)amino)methyl)-4-iodo-6-methylphenol dihydrochloride2ZCU8ZI7Z2MFCD000408082-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochlorideN,N,N'-Trimethyl-N'-(2-hydroxy-3-methyl-5-iodo-benzyl)-1,3-propandiamine dihydrochloride1-(2-Hydroxy-5-iodo-3-methylbenzyl)-1,3,3-trimethylpropanediamine diHCln,n,n'-trimethyl-n'(2-hydroxy-3-methyl-5-iodo-benzyl)-1,3-propandiamine dihydrochloride2-({[3-(dimethylamino)propyl](methyl)amino}methyl)-4-iodo-6-methylphenol dihydrochlorideN,N',N'-Trimethyl-N-(2-hydroxy-5-iodo-3-methylbenzyl)-1,3-propanediamine dihydrochloriden,n,n'-trimethyl-n'-(2-hydroxy-3-methyl-5-iodo-benzyl)-1,3-propandiamine di hydrochloride
Show more names
1-(2-Hydroxy-5-iodo-3-methylbenzyl)-1,3,3-N,N,NTrimethyl-N(2-hydroxy-3-methyl-5-iod-benzyl)-1,3-propandiamin*2HClN,N,N'-Trimethyl-N(2-hydroxy-3-methyl-5-iod-benzyl)-1,3-propandiamin*2HClN,N,N-Trimethyl-N-(2-hydroxy-3-methyl-5-iodobenzyl)-1,3-propandiamine*2HCIN,N,N′-Trimethyl-N′-(2-hydroxy-3-methyl-5-iodobenzyl)-1,3-propandiamine*2HClN,N,N'-Trimethyl-N'-(2-hydroxy-3-methyl-5-iodo-benzyl)-1,3-propandiamine HCl2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol dihydrochloride
Database identifiers
- CAS
89815-43-0- PubChem CID
- 6917833
- DTXSID
DTXSID80426067- UNII
- 2ZCU8ZI7Z2
Properties
Computed structural properties
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 160 °C · 160°C (dec.)
- FDA UNII
- 2 ZCU8ZI7Z2 · 2ZCU8ZI7Z2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P271
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2922290090 · 2922290090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2922290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280-P271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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