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CAS 3020-81-3 Butyramidine hydrochloride molecular structure lightbox
CAS RN: 3020-81-3

Butyramidine hydrochloride

  • Product code: SSC-133951
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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: 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 3020-81-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

3020-81-3 / 1-aminobutylideneazanium chloride

Standard CAS: 3020-81-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3020-81-3
Multi CAS
Yes
Molecular Formula
C4H11CLN2
Molecular Weight
122.600000
Exact Mass
122.061076
InChI
InChI=1S/C4H10N2.ClH/c1-2-3-4(5)6;/h2-3H2,1H3,(H3,5,6);1H
InChIKey
STYCVEYASXULRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
26.03
TPSA
51.61

LogP / Solubility

WLOGP
-4.09
MLOGP
-3.61
XLogP3
-4.09
Consensus LogP
-3.93
Log S (ESOL)
2.11
Class (ESOL)
Highly soluble
Log S (Ali)
2.39
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.7
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.37

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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