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CAS 69954-66-1 4-DIMETHYLAMINOBUTYRIC ACID HYDROCHLORIDE molecular structure lightbox
CAS RN: 69954-66-1

4-DIMETHYLAMINOBUTYRIC ACID HYDROCHLORIDE

  • Product code: SSC-179723
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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: 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • 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 69954-66-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

69954-66-1 / 4-(dimethylamino)butanoic acid;hydrochloride

Standard CAS: 69954-66-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69954-66-1
Multi CAS
Yes
Molecular Formula
C6H14CLNO2
Molecular Weight
167.630000
Exact Mass
167.071306
InChI
InChI=1S/C6H13NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H
InChIKey
RDTALXUBMCLWBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.67
TPSA
40.54

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
0.83
Consensus LogP
0.8
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-3.15

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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