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CAS 142-81-4 Hexylamine Hydrochloride molecular structure lightbox
CAS RN: 142-81-4

Hexylamine Hydrochloride

  • Product code: SSC-052688
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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: ＞97%
  • 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 142-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

142-81-4 / hexan-1-amine;hydrochloride

Standard CAS: 142-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142-81-4
Multi CAS
No
Molecular Formula
C6H16ClN
Molecular Weight
137.650000
Exact Mass
137.097127
SMILES
CCCCCCN.Cl
InChI
InChI=1S/C6H15N.ClH/c1-2-3-4-5-6-7;/h2-7H2,1H3;1H
InChIKey
XKDUZXVNQOZCFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.44
TPSA
26.02

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
1.95
Consensus LogP
1.87
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately 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)
-2.18

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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