CAS RN: 1097931-13-9
2-(1-methylpyrrolidin-2-yl)propan-1-amine dihydrochloride
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.20260203 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1097931-13-9
- Purity/Analytical Methods: >99.0%
1097931-13-9 / 2-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride
2-(1-Methylpyrrolidin-2-yl)propan-1-amine dihydrochloride | MFCD30146463 | 2-(1-Methylpyrrolidin-2-yl)propan-1-amine 2HCl
Basic Information
CAS
1097931-13-9
Multi CAS
No
Molecular Formula
C8H20Cl2N2
Molecular Weight
215.160000
Exact Mass
214.100354
SMILES
CC(CN)C1CCCN1C.Cl.Cl
InChI
InChI=1S/C8H18N2.2ClH/c1-7(6-9)8-4-3-5-10(8)2;;/h7-8H,3-6,9H2,1-2H3;2*1H
InChIKey
AKLCANPJTRXZJR-UHFFFAOYSA-N
Synonyms
2-(1-Methylpyrrolidin-2-yl)propan-1-amine dihydrochloride
MFCD30146463
2-(1-Methylpyrrolidin-2-yl)propan-1-amine 2HCl
2-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride
SCHEMBL7656994
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.37
TPSA
29.26
LogP / Solubility
WLOGP
1.52
MLOGP
1.34
XLogP3
1.52
Consensus LogP
1.46
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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