CAS RN: 1448804-55-4
2,2-dimethylhex-5-en-3-amine HCl
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.20250222 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1448804-55-4
- Purity/Analytical Methods: >99.0%
1448804-55-4 / 2,2-dimethylhex-5-en-3-amine;hydrochloride
Basic Information
CAS
1448804-55-4
Multi CAS
No
Molecular Formula
C8H18ClN
Molecular Weight
163.690000
Exact Mass
163.112777
SMILES
CC(C)(C)C(CC=C)N.Cl
InChI
InChI=1S/C8H17N.ClH/c1-5-6-7(9)8(2,3)4;/h5,7H,1,6,9H2,2-4H3;1H
InChIKey
DKRZGIJCVNOSRN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.49
TPSA
26.02
LogP / Solubility
WLOGP
2.36
MLOGP
2.07
XLogP3
2.36
Consensus LogP
2.26
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.04
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
2
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