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CAS 931-44-2 3-Pyrrolidineethanol molecular structure lightbox
CAS RN: 931-44-2

3-Pyrrolidineethanol

  • Product code: SSC-207114
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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 931-44-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

931-44-2 / 2-pyrrolidin-3-ylethanol

Standard CAS: 931-44-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
931-44-2
Multi CAS
Yes
Molecular Formula
C6H13NO
Molecular Weight
115.170000
Exact Mass
115.099714
InChI
InChI=1S/C6H13NO/c8-4-2-6-1-3-7-5-6/h6-8H,1-5H2
InChIKey
NKRLLPCWCPIQPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.68
TPSA
32.26

LogP / Solubility

WLOGP
-0.02
MLOGP
-0.03
XLogP3
-0.1
Consensus LogP
-0.05
Log S (ESOL)
-0.41
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
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)
-3.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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