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CAS 55984-59-3 N-METHYLBUT-3-EN-1-AMINE HYDROCHLORIDE(WXC08486S1) molecular structure lightbox
CAS RN: 55984-59-3

N-METHYLBUT-3-EN-1-AMINE HYDROCHLORIDE(WXC08486S1)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250213 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-163917
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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 55984-59-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

55984-59-3 / N-methylbut-3-en-1-amine;hydrochloride

Standard CAS: 55984-59-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55984-59-3
Multi CAS
No
Molecular Formula
C5H12CLN
Molecular Weight
121.610000
Exact Mass
121.065827
InChI
InChI=1S/C5H11N.ClH/c1-3-4-5-6-2;/h3,6H,1,4-5H2,2H3;1H
InChIKey
BPSLUDUIYPKSDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.99
TPSA
12.03

LogP / Solubility

WLOGP
1.2
MLOGP
1.05
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.61

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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