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CAS 37694-43-2 3,3-Dimethyl-cyclohexylamine molecular structure lightbox
CAS RN: 37694-43-2

3,3-Dimethyl-cyclohexylamine

  • Product code: SSC-145134
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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 37694-43-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

37694-43-2 / 3,3-dimethylcyclohexan-1-amine

Standard CAS: 37694-43-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
37694-43-2
Multi CAS
No
Molecular Formula
C8H17N
Molecular Weight
127.230000
Exact Mass
127.136100
InChI
InChI=1S/C8H17N/c1-8(2)5-3-4-7(9)6-8/h7H,3-6,9H2,1-2H3
InChIKey
DUMSDLPWUAVLJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.22
TPSA
26.02

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.9
Consensus LogP
1.83
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-2.14

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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