CAS RN: 1907-33-1

Lithium tert-Butoxide (ca. 10% in Tetrahydrofuran, ca. 1mol/L)

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7 package records6 with current stock3 grade groups
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Batchno.20250623 100g In stock Inquiry
Batchno.20250501 250g In stock Inquiry
Batchno.20251007 25g In stock Inquiry
Batchno.20250520 500g In stock Inquiry
Batchno.20260316 5g In stock Inquiry
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Batchno.20260221 25g Out of stock 8-10 business days Inquiry
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Batchno.20250330 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: ICTL0253
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1907-33-1 / lithium 2-methylpropan-2-olate

Standard CAS: 1907-33-1 Multi CAS: No

Basic Information

CAS
1907-33-1
Multi CAS
No
Molecular Formula
C4H9LiO
Molecular Weight
80.100000
Exact Mass
80.081343
SMILES
[Li+].CC(C)(C)[O-]
InChI
InChI=1S/C4H9O.Li/c1-4(2,3)5;/h1-3H3;/q-1;+1
InChIKey
LZWQNOHZMQIFBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
19.75
TPSA
23.06

LogP / Solubility

WLOGP
-2.85
MLOGP
-2.52
XLogP3
-2.85
Consensus LogP
-2.74
Log S (ESOL)
1.46
Class (ESOL)
Highly soluble
Log S (Ali)
1.84
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.19
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.23

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H228 (39.5%): Flammable solid [Danger Flammable solids] H251 (60.5%): Self-heating; may catch fire [Danger Self-heating substances and mixtures] H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (11.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P235, P240, P241, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P405, P407, P410, P413, P420, and P501

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