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CAS 93554-80-4 2-aminobutanenitrile molecular structure lightbox
CAS RN: 93554-80-4

2-aminobutanenitrile

  • Product code: SSC-207837
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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 93554-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

93554-80-4 / 2-aminobutanenitrile

Standard CAS: 93554-80-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93554-80-4
Multi CAS
Yes
Molecular Formula
C4H8N2
Molecular Weight
84.120000
Exact Mass
84.068748
InChI
InChI=1S/C4H8N2.ClH/c1-2-4(6)3-5;/h4H,2,6H2,1H3;1H
InChIKey
OJGHKZQRNGOMQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
23.88
TPSA
49.81

LogP / Solubility

WLOGP
0.25
MLOGP
0.2
Consensus LogP
0.15
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
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)
-3.06

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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