CAS RN: 1197234-78-8
2-(2,2-dimethylpyrrolidin-1-yl)ethan-1-amine
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.20250618 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1197234-78-8
- Purity/Analytical Methods: >99.0%
1197234-78-8 / 2-(2,2-dimethylpyrrolidin-1-yl)ethanamine;dihydrochloride
2-(2,2-Dimethylpyrrolidin-1-yl)ethan-1-amine dihydrochloride | 1-Pyrrolidineethanamine, 2,2-dimethyl-, hydrochloride (1:2) | 2-(2,2-dimethylpyrrolidin-1-yl)ethanamine dihydrochloride
Basic Information
CAS
1197234-78-8
Multi CAS
No
Molecular Formula
C8H20Cl2N2
Molecular Weight
215.160000
Exact Mass
214.100354
SMILES
CC1(CCCN1CCN)C.Cl.Cl
InChI
InChI=1S/C8H18N2.2ClH/c1-8(2)4-3-6-10(8)7-5-9;;/h3-7,9H2,1-2H3;2*1H
InChIKey
XZASMMRGJFRAKU-UHFFFAOYSA-N
Synonyms
2-(2,2-Dimethylpyrrolidin-1-yl)ethan-1-amine dihydrochloride
1-Pyrrolidineethanamine, 2,2-dimethyl-, hydrochloride (1:2)
2-(2,2-dimethylpyrrolidin-1-yl)ethanamine dihydrochloride
2-(2,2-dimethylpyrrolidin-1-yl)ethanamine;dihydrochloride
MFCD15142925
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.44
TPSA
29.26
LogP / Solubility
WLOGP
1.66
MLOGP
1.47
XLogP3
1.66
Consensus LogP
1.6
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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