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CAS 6287-40-7 Dibutylamine Hydrochloride molecular structure lightbox
CAS RN: 6287-40-7

Dibutylamine Hydrochloride

  • Product code: SSC-172243
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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: 100g
  • 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 6287-40-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

6287-40-7 / N-butylbutan-1-amine;hydrochloride

Standard CAS: 6287-40-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6287-40-7
Multi CAS
Yes
Molecular Formula
C8H20CLN
Molecular Weight
165.700000
Exact Mass
165.128427
InChI
InChI=1S/C8H19N.ClH/c1-3-5-7-9-8-6-4-2;/h9H,3-8H2,1-2H3;1H
InChIKey
ODYNBECIRXXOGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.93
TPSA
12.03

LogP / Solubility

WLOGP
2.6
MLOGP
2.28
XLogP3
2.6
Consensus LogP
2.49
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.61
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)
-1.89

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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