CAS RN: 34453-11-7
(1-cyclohexen-1-ylmethyl)amine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260115 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS34453-11-7
- Purity/Analytical Methods: >99.0%
34453-11-7 / cyclohexen-1-ylmethanamine;hydrochloride
Basic Information
CAS
34453-11-7
Multi CAS
Yes
Molecular Formula
C7H14CLN
Molecular Weight
147.640000
Exact Mass
147.081477
InChI
InChI=1S/C7H13N.ClH/c8-6-7-4-2-1-3-5-7;/h4H,1-3,5-6,8H2;1H
InChIKey
PBPGOPRTFZOAES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.85
TPSA
26.02
LogP / Solubility
WLOGP
1.87
MLOGP
1.64
XLogP3
1.87
Consensus LogP
1.79
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.29
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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