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CAS 24424-63-3 N1-tert-butylethane-1,2-diamine molecular structure lightbox
CAS RN: 24424-63-3

N1-tert-butylethane-1,2-diamine

  • Product code: SSC-118853
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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 24424-63-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

24424-63-3 / N'-tert-butylethane-1,2-diamine

Standard CAS: 24424-63-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24424-63-3
Multi CAS
No
Molecular Formula
C6H16N2
Molecular Weight
116.200000
Exact Mass
116.131349
InChI
InChI=1S/C6H16N2/c1-6(2,3)8-5-4-7/h8H,4-5,7H2,1-3H3
InChIKey
JYXKYKIDIKVWNY-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
36.81
TPSA
38.05

LogP / Solubility

WLOGP
0.33
MLOGP
0.28
XLogP3
-0.2
Consensus LogP
0.14
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
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)
-3.19

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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