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CAS 18251-82-6 Diisobutylamine Hydrochloride molecular structure lightbox
CAS RN: 18251-82-6

Diisobutylamine Hydrochloride

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260525 100g In stock Inquiry
Batchno.20260320 1g In stock Inquiry
Batchno.20260503 25g In stock Inquiry
Batchno.20260208 5g In stock Inquiry
  • Product code: SSC-084521
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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: 25g
  • 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 18251-82-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Shanghai Inquiry

18251-82-6 / 2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride

Standard CAS: 18251-82-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18251-82-6
Multi CAS
No
Molecular Formula
C8H20ClN
Molecular Weight
165.700000
Exact Mass
165.128427
SMILES
CC(C)CNCC(C)C.Cl
InChI
InChI=1S/C8H19N.ClH/c1-7(2)5-9-6-8(3)4;/h7-9H,5-6H2,1-4H3;1H
InChIKey
HDSBLUHKYYCLEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.79
TPSA
12.03

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2.31
Consensus LogP
2.22
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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