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CAS 17351-61-0 TETRAETHYLAMMONIUM BICARBONATE molecular structure lightbox
CAS RN: 17351-61-0

TETRAETHYLAMMONIUM BICARBONATE

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260124 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260115 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260627 250mg In stock Shanghai Inquiry
Batchno.20250923 25g In stock Shanghai Inquiry
Batchno.20250412 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS17351-61-0
  • Purity/Analytical Methods: >99.0%
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17351-61-0 / hydrogen carbonate;tetraethylazanium

Standard CAS: 17351-61-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17351-61-0
Multi CAS
No
Molecular Formula
C9H21NO3
Molecular Weight
191.270000
Exact Mass
191.152144
SMILES
CC[N+](CC)(CC)CC.C(=O)(O)[O-]
InChI
InChI=1S/C8H20N.CH2O3/c1-5-9(6-2,7-3)8-4;2-1(3)4/h5-8H2,1-4H3;(H2,2,3,4)/q+1;/p-1
InChIKey
XUBMPLUQNSSFHO-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.45
TPSA
60.36

LogP / Solubility

WLOGP
0.77
MLOGP
0.68
XLogP3
0.77
Consensus LogP
0.74
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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 (100%): 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

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