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CAS 226549-07-1 3,3-dimethylcyclohexan-1-amine hydrochloride molecular structure lightbox
CAS RN: 226549-07-1

3,3-dimethylcyclohexan-1-amine hydrochloride

  • Product code: SSC-110598
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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 226549-07-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

226549-07-1 / 3,3-dimethylcyclohexan-1-amine;hydrochloride

Standard CAS: 226549-07-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
226549-07-1
Multi CAS
No
Molecular Formula
C8H18ClN
Molecular Weight
163.690000
Exact Mass
163.112777
SMILES
CC1(CCCC(C1)N)C.Cl
InChI
InChI=1S/C8H17N.ClH/c1-8(2)5-3-4-7(9)6-8;/h7H,3-6,9H2,1-2H3;1H
InChIKey
DTIIIRPTARKHJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.47
TPSA
26.02

LogP / Solubility

WLOGP
2.34
MLOGP
2.05
XLogP3
2.34
Consensus LogP
2.24
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.06

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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