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CAS 63009-16-5 2-ethylbutane-1,4-diamine molecular structure lightbox
CAS RN: 63009-16-5

2-ethylbutane-1,4-diamine

  • Product code: SSC-172486
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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 63009-16-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

63009-16-5 / 2-ethylbutane-1,4-diamine

Standard CAS: 63009-16-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
63009-16-5
Multi CAS
No
Molecular Formula
C6H16N2
Molecular Weight
116.200000
Exact Mass
116.131349
InChI
InChI=1S/C6H16N2/c1-2-6(5-8)3-4-7/h6H,2-5,7-8H2,1H3
InChIKey
XGJHPGPVESLKKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.51
TPSA
52.04

LogP / Solubility

WLOGP
0.32
MLOGP
0.27
XLogP3
-0.1
Consensus LogP
0.16
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.16
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)
-3.2

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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