CAS RN: 10534-59-5
Tetrabutylammonium Acetate
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250803 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251107 | 1kg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250423 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260222 | 500g | In stock | Shanghai, Tianjin, Wuhan | Inquiry | |
| Batchno.20260510 | 5kg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260205 | 5g / 25g / 100g / 500g / 2.5kg / 10kg | Confirm by inquiry | Shanghai, Shandong, Chongqing, Hebei, Guangdong | 5-7 business days | Inquiry |
- Product code: ICTT2694
- Purity/Analytical Methods: >90.0%(T)
10534-59-5 / tetrabutylazanium acetate
Tetrabutylammonium acetate | EINECS 234-101-8 | DTXSID8065111
Basic Information
CAS
10534-59-5
Multi CAS
Yes
Molecular Formula
C18H39NO2
Molecular Weight
301.500000
Exact Mass
301.298079
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.CC(=O)[O-]
InChI
InChI=1S/C16H36N.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
InChIKey
MCZDHTKJGDCTAE-UHFFFAOYSA-M
Synonyms
Tetrabutylammonium acetate
EINECS 234-101-8
DTXSID8065111
1-Butanaminium, N,N,N-tributyl-, acetate (1:1)
RefChem:188404
Physical Properties
Physical Description
White hygroscopic crystals
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.94
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
90.04
TPSA
40.13
LogP / Solubility
WLOGP
3.76
MLOGP
3.32
XLogP3
3.76
Consensus LogP
3.61
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (98.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
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
