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CAS 23563-86-2 N-(2-Hydroxyethyl)-1,4-butanediamine molecular structure lightbox
CAS RN: 23563-86-2

N-(2-Hydroxyethyl)-1,4-butanediamine

  • Product code: SSC-114602
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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 23563-86-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

23563-86-2 / 2-(4-aminobutylamino)ethanol

Standard CAS: 23563-86-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23563-86-2
Multi CAS
No
Molecular Formula
C6H16N2O
Molecular Weight
132.200000
Exact Mass
132.126263
SMILES
C(CCNCCO)CN
InChI
InChI=1S/C6H16N2O/c7-3-1-2-4-8-5-6-9/h8-9H,1-7H2
InChIKey
FJAOJVGLIUIDIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
38.24
TPSA
58.28

LogP / Solubility

WLOGP
-0.69
MLOGP
-0.62
XLogP3
-1.1
Consensus LogP
-0.8
Log S (ESOL)
0.17
Class (ESOL)
Highly soluble
Log S (Ali)
-0.14
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.02

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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