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CAS 1412978-07-4 (1-ETHYLAZETIDIN-3-YL)METHANAMINE molecular structure lightbox
CAS RN: 1412978-07-4

(1-ETHYLAZETIDIN-3-YL)METHANAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250629 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1412978-07-4
  • Purity/Analytical Methods: >99.0%
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1412978-07-4 / (1-ethylazetidin-3-yl)methanamine

Standard CAS: 1412978-07-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1412978-07-4
Multi CAS
No
Molecular Formula
C6H14N2
Molecular Weight
114.190000
Exact Mass
114.115698
SMILES
CCN1CC(C1)CN
InChI
InChI=1S/C6H14N2/c1-2-8-4-6(3-7)5-8/h6H,2-5,7H2,1H3
InChIKey
JEPWLORERBTIOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.66
TPSA
29.26

LogP / Solubility

WLOGP
-0.1
MLOGP
-0.1
XLogP3
-0.3
Consensus LogP
-0.17
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.42
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
Class (SILICOS-IT)
Very 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)
-3.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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