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CAS 92901-20-7 4-Aminobutan-2-one hydrochloride molecular structure lightbox
CAS RN: 92901-20-7

4-Aminobutan-2-one hydrochloride

  • Product code: SSC-206802
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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, 5g
  • 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 92901-20-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

92901-20-7 / 4-aminobutan-2-one;hydrochloride

Standard CAS: 92901-20-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92901-20-7
Multi CAS
No
Molecular Formula
C4H10CLNO
Molecular Weight
123.580000
Exact Mass
123.045092
InChI
InChI=1S/C4H9NO.ClH/c1-4(6)2-3-5;/h2-3,5H2,1H3;1H
InChIKey
CRYWPNCOLVABFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.6
TPSA
43.09

LogP / Solubility

WLOGP
0.35
MLOGP
0.3
XLogP3
0.35
Consensus LogP
0.33
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
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)
-3.23

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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