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CAS 1965309-70-9 1-(1H-Imidazol-4(5)-yl)-ethylamine dihydrochloride molecular structure lightbox
CAS RN: 1965309-70-9

1-(1H-Imidazol-4(5)-yl)-ethylamine dihydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250206 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1965309-70-9
  • Purity/Analytical Methods: >99.0%
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1965309-70-9 / 1-(1H-imidazol-5-yl)ethanamine;dihydrochloride

Standard CAS: 1965309-70-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1965309-70-9
Multi CAS
No
Molecular Formula
C5H11Cl2N3
Molecular Weight
184.060000
Exact Mass
183.033003
SMILES
CC(C1=CN=CN1)N.Cl.Cl
InChI
InChI=1S/C5H9N3.2ClH/c1-4(6)5-2-7-3-8-5;;/h2-4H,6H2,1H3,(H,7,8);2*1H
InChIKey
HRTLCOMHKUZVMQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.69
TPSA
54.7

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
1.27
Consensus LogP
1.22
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.94

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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