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CAS 92499-04-2 N,N-diallyl-1-phenylethylamine molecular structure lightbox
CAS RN: 92499-04-2

N,N-diallyl-1-phenylethylamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260109 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS92499-04-2
  • Purity/Analytical Methods: >99.0%
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92499-04-2 / N-(1-phenylethyl)-N-prop-2-enylprop-2-en-1-amine

Standard CAS: 92499-04-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92499-04-2
Multi CAS
No
Molecular Formula
C14H19N
Molecular Weight
201.310000
Exact Mass
201.151750
InChI
InChI=1S/C14H19N/c1-4-11-15(12-5-2)13(3)14-9-7-6-8-10-14/h4-10,13H,1-2,11-12H2,3H3
InChIKey
ZUKMOCSJPVKFBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
66.82
TPSA
3.24

LogP / Solubility

WLOGP
3.42
MLOGP
3.01
XLogP3
3.4
Consensus LogP
3.28
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.53
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)
-1.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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