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CAS 22795-97-7 (R)-(+)-2-AMINOMETHYL-1-ETHYLPYRROLIDINE molecular structure lightbox
CAS RN: 22795-97-7

(R)-(+)-2-AMINOMETHYL-1-ETHYLPYRROLIDINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251029 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong Inquiry
  • Product code: starshine_CAS22795-97-7
  • Purity/Analytical Methods: >99.0%
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22795-97-7 / (1-ethylpyrrolidin-2-yl)methanamine

Standard CAS: 22795-97-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22795-97-7
Multi CAS
No
Molecular Formula
C7H16N2
Molecular Weight
128.220000
Exact Mass
128.131349
SMILES
CCN1CCCC1CN
InChI
InChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3/t7-/m1/s1
InChIKey
UNRBEYYLYRXYCG-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.32
TPSA
29.26

LogP / Solubility

WLOGP
0.43
MLOGP
0.37
XLogP3
0.2
Consensus LogP
0.33
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.09
Class (SILICOS-IT)
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)
-3.2

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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