N1,N6-Didodecyl-N1,N1,N6,N6-tetramethylhexane-1,6-diaminium bromide
Basic information
- CAS
18507-15-8- Standard SMILES
CCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-].[Br-]- InChIKey
ZXVGCUMZUVQCMK-UHFFFAOYSA-L- Molecular formula
- C34H74Br2N2
- Average molar mass
- 670.8 g/mol
- Monoisotopic mass
- 668.42188
Names & identifiers
- Preferred name
- N1,N6-Didodecyl-N1,N1,N6,N6-tetramethylhexane-1,6-diaminium bromide
- IUPAC
- dodecyl-[6-[dodecyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide
- English name
- N1,N6-Didodecyl-N1,N1,N6,N6-tetramethylhexane-1,6-diaminium bromide
- Molecular formula
- C34H74Br2N2
- Molecular weight
- 670.77276
Names & synonyms
N1,N6-Didodecyl-N1,N1,N6,N6-tetramethylhexane-1,6-diaminium bromide18507-15-8MFCD01669114Mono(N1,N6-didodecyl-N1,N1,N6,N6-tetramethylhexane-1,6-diaminium) monobromideC34H74Br2N2CHEMBL146287SCHEMBL1318093NIOSH/BQ8193000SY546806BQ81930000F88548Hexamethylenebis(dodecyldimethylammonium bromide)
Show more names
Ammonium, hexamethylenebis(dodecyldimethyl-, dibromideN,N'-Dodecyl-N,N'-dimethyl-1,6-hexanediamine bis(methobromide)N1N6-Didodecyl-N1N1N6N6-tetramethylhexane-16-diaminium bromidedodecyl-[6-[dodecyl(dimethyl)ammonio]hexyl]-dimethyl-ammonium;dibromidedodecyl-[6-[dodecyl(dimethyl)azaniumyl]hexyl]-dimethylazanium;dibromideN,N'-didodecyl-N,N,N',N'-tetramethyl-N,N'-hexanediyl-di-ammonium dibromideN1,N6-Didodecyl-N1,N1,N6,N6-tetramethylhexane-1,6-diaminiumbromide
Database identifiers
- CAS
18507-15-8- PubChem CID
- 12416670
- ChEMBL
CHEMBL146287- EC Number
- 969-326-7
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 29
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Melting point
- 225 °C · 225 °C
- storage temp.
- Inert atmosphere,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: hexamethylene-1,6-bis-(N,N-dimethyl-N-dodecylammonium bromide) (EC: 969-326-7)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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