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CAS 219486-41-6 N,N’-Diallyl-1,4-diaminobutane dihydrochloride molecular structure lightbox
CAS RN: 219486-41-6

N,N’-Diallyl-1,4-diaminobutane dihydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251209 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS219486-41-6
  • Purity/Analytical Methods: >99.0%
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219486-41-6 / N,N'-bis(prop-2-enyl)butane-1,4-diamine;dihydrochloride

Standard CAS: 219486-41-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
219486-41-6
Multi CAS
No
Molecular Formula
C10H22Cl2N2
Molecular Weight
241.200000
Exact Mass
240.116004
SMILES
C=CCNCCCCNCC=C.Cl.Cl
InChI
InChI=1S/C10H20N2.2ClH/c1-3-7-11-9-5-6-10-12-8-4-2;;/h3-4,11-12H,1-2,5-10H2;2*1H
InChIKey
CPFJPNLATSNZCN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.6
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.86
TPSA
24.06

LogP / Solubility

WLOGP
2.16
MLOGP
1.91
XLogP3
2.16
Consensus LogP
2.08
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly 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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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