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CAS 21678-37-5 N,N-Dimethylisobutyramide molecular structure lightbox
CAS RN: 21678-37-5

N,N-Dimethylisobutyramide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250628 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-104132
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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: 100g
  • Available purity: ＞97%
  • 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 21678-37-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

21678-37-5 / N,N,2-trimethylpropanamide

Standard CAS: 21678-37-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21678-37-5
Multi CAS
No
Molecular Formula
C6H13NO
Molecular Weight
115.170000
Exact Mass
115.099714
SMILES
CC(C)C(=O)N(C)C
InChI
InChI=1S/C6H13NO/c1-5(2)6(8)7(3)4/h5H,1-4H3
InChIKey
GXMIHVHJTLPVKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
33.53
TPSA
20.31

LogP / Solubility

WLOGP
0.73
MLOGP
0.63
XLogP3
0.8
Consensus LogP
0.72
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
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)
-2.9

Drug-likeness / Medicinal Chemistry

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

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