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CAS 76-39-1 2-Methyl-2-nitro-1-propanol molecular structure lightbox
CAS RN: 76-39-1

2-Methyl-2-nitro-1-propanol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250105 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-185426
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 76-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

76-39-1 / 2-methyl-2-nitropropan-1-ol

Standard CAS: 76-39-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
76-39-1
Multi CAS
Yes
Molecular Formula
C4H9NO3
Molecular Weight
119.120000
Exact Mass
119.058243
InChI
InChI=1S/C4H9NO3/c1-4(2,3-6)5(7)8/h6H,3H2,1-2H3
InChIKey
MVGJRISPEUZYAQ-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid Colorless solid; [CHEMINFO]
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.16
TPSA
63.37

LogP / Solubility

WLOGP
0.03
MLOGP
0.02
XLogP3
-0.1
Consensus LogP
-0.02
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
Class (SILICOS-IT)
Very 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)
-3.42

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

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