N,N',N''-Trimethylbis(hexamethylene)triamine
Basic information
- CAS
86018-07-7- Standard SMILES
CNCCCCCCN(C)CCCCCCNC- InChIKey
XFKPZJBVIVCMKS-UHFFFAOYSA-N- Molecular formula
- C15H35N3
- Average molar mass
- 257.46 g/mol
- Monoisotopic mass
- 257.28309813
Names & identifiers
- Preferred name
- N,N',N''-Trimethylbis(hexamethylene)triamine
- IUPAC
- N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine
- English name
- N,N',N''-Trimethylbis(hexamethylene)triamine
- Molecular formula
- C15H35N3
- Molecular weight
- 257.46
Names & synonyms
86018-07-7N,N',N''-Trimethylbis(hexamethylene)triamineDTXSID90402317RefChem:358276DTXCID30353172627-530-0N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamineSCHEMBL1229873N,N',N''-TrimethyldihexamethylenetriamineN,N',N''-Trimethylbis(hexamethylene)triamine, 97%N~1~,N~6~-Dimethyl-N~1~-[6-(methylamino)hexyl]hexane-1,6-diamineN,N',N''-Trimethylbis(hexamethylene)triamine 97%
Show more names
1,6-Hexanediamine, N1,N6-dimethyl-N1-[6-(methylamino)hexyl]-N,N′,N′′-Trimethylbis(hexamethylene)triamine, CAS 86018-07-7N,N',N''-TRIMETHYLBIS(HEXAMETHYLENE)TRIAMINE ISO 9001：2015 REACHN,N′,N′′-Trimethylbis(hexamethylene)triamine
Database identifiers
- CAS
86018-07-7- PubChem CID
- 4357340
- DTXSID
DTXSID90402317- EC Number
- 627-530-0
- Nikkaji
- J1.313.520G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Density
- 0.857 g/mL · 0.857 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.462(lit.)
- Flash point
- 230 °F · >230 °F
- InChI
- 1S/C15H35N3/c1-16-12-8-4-6-10-14-18(3)15-11-7-5-9-13-17-2/h16-17H,4-15H2,1-3H3
- InChIKey
- XFKPZJBVIVCMKS-UHFFFAOYSA-N
- SMILES
- CNCCCCCCN(C)CCCCCCNC
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-27-36/37/39-45
- RIDADR
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2735 8/PG 3
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
UsesN,N′,N′′-Trimethylbis(hexamethylene)triamine is suitable amine employed to investigate the stability of complexes formed by dicarboxylic ligands with open-chain polyammonium cations by potentiometry.
General DescriptionN,N′,N′′-Trimethylbis(hexamethylene)triamine (N,N′-dimethyl-N-[6-(methylamino)hexyl]-1,6-hexanediamine) is a polyamine.
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Compound notes
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