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CAS 23545-30-4 N-(2-Hydroxyethyl)-1,5-pentanediamine molecular structure lightbox
CAS RN: 23545-30-4

N-(2-Hydroxyethyl)-1,5-pentanediamine

  • Product code: SSC-114446
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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 23545-30-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

23545-30-4 / 2-(5-aminopentylamino)ethanol

Standard CAS: 23545-30-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23545-30-4
Multi CAS
No
Molecular Formula
C7H18N2O
Molecular Weight
146.230000
Exact Mass
146.141913
SMILES
C(CCN)CCNCCO
InChI
InChI=1S/C7H18N2O/c8-4-2-1-3-5-9-6-7-10/h9-10H,1-8H2
InChIKey
PVEDNAQTIGMRLZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
3
Molar refractivity
42.86
TPSA
58.28

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.27
XLogP3
-0.8
Consensus LogP
-0.46
Log S (ESOL)
-0.09
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.2
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)
-3.83

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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