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CAS 2050-51-3 3-(DIBUTYLAMINO)-1-PROPANOL molecular structure lightbox
CAS RN: 2050-51-3

3-(DIBUTYLAMINO)-1-PROPANOL

  • Product code: SSC-096454
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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: ＞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 2050-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

2050-51-3 / 3-(dibutylamino)propan-1-ol

Standard CAS: 2050-51-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2050-51-3
Multi CAS
No
Molecular Formula
C11H25NO
Molecular Weight
187.320000
Exact Mass
187.193614
SMILES
CCCCN(CCCC)CCCO
InChI
InChI=1S/C11H25NO/c1-3-5-8-12(9-6-4-2)10-7-11-13/h13H,3-11H2,1-2H3
InChIKey
DMPODMBXLRMZSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.96
TPSA
23.47

LogP / Solubility

WLOGP
2.27
MLOGP
2
XLogP3
2.4
Consensus LogP
2.22
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly 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)
-2.25

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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