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CAS 31519-52-5 (R)-3-METHYLBUTAN-2-AMINE HYDROCHLORIDE(WXC09200S1) molecular structure lightbox
CAS RN: 31519-52-5

(R)-3-METHYLBUTAN-2-AMINE HYDROCHLORIDE(WXC09200S1)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251201 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Hebei Inquiry
  • Product code: SSC-136913
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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 31519-52-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

31519-52-5 / 3-methylbutan-2-amine;hydrochloride

Standard CAS: 31519-52-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31519-52-5
Multi CAS
Yes
Molecular Formula
C5H14CLN
Molecular Weight
123.620000
Exact Mass
123.081477
InChI
InChI=1S/C5H13N.ClH/c1-4(2)5(3)6;/h4-5H,6H2,1-3H3;1H/t5-;/m1./s1
InChIKey
RBOBXILUTBVQOQ-NUBCRITNSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.74
TPSA
26.02

LogP / Solubility

WLOGP
1.41
MLOGP
1.23
XLogP3
1.41
Consensus LogP
1.35
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-2.47

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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