1-Heptanaminium, N,N,N-triheptyl-, chloride (1:1)
Basic information
- CAS
10247-90-2- Standard SMILES
CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Cl-]- InChIKey
VMJQVRWCDVLJSI-UHFFFAOYSA-M- Molecular formula
- C28H60ClN
- Average molar mass
- 446.2 g/mol
- Monoisotopic mass
- 445.4414286
Names & identifiers
- Preferred name
- 1-Heptanaminium, N,N,N-triheptyl-, chloride (1:1)
- IUPAC
- tetraheptylazanium chloride
- English name
- TETRAHEPTYLAMMONIUM CHLORIDE
- Molecular formula
- C28H60ClN
- Molecular weight
- 446.25
Names & synonyms
10247-90-21-Heptanaminium, N,N,N-triheptyl-, chloride (1:1)1-Heptanaminium, N,N,N-triheptyl-, chlorideEINECS 233-583-7DTXSID90884457RefChem:75853DTXCID901023898Tetraheptylammonium chloridetetraheptylazanium;chloriden,n,n-triheptylheptan-1-aminium chloridetetraheptylammonium;chlorideSCHEMBL514940
Show more names
Tetraheptylaminium·chlorideTETRA-N-HEPTYLAMMONIUM CHLORIDETetraheptylammonium chloride,99%Tetraheptylammonium chloride,95%n,n,n-triheptyl-1-heptanaminiuchloride
VMJQVRWCDVLJSI-UHFFFAOYSA-MMFCD00041983AKOS015894763AS-88682NS00087730F86978F979998
Database identifiers
- CAS
10247-90-2- PubChem CID
- 82489
- DTXSID
DTXSID90884457- EC Number
- 233-583-7
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 24
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 38 · 38-40 °C(lit.)
- Boiling point
- 175 °C · 175 °C(lit.)
- Density
- 0.86 · 0.8600 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- Flash point
- 89 °C · 89 °C
- Stability
- Stable. Incompatible with strong oxidizing agents.
- EPA Substance Registry System
- Tetraheptylammonium chloride (10247-90-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- F
- 3 · 3-10
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 3-10
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29239000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Heptanaminium, N,N,N-triheptyl-, chloride (1:1): INACTIVE
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Related reactions
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Compound notes
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