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CAS 84092-72-8 Benzenemethanamine, 4-ethenyl-, hydrochloride molecular structure lightbox
CAS RN: 84092-72-8

Benzenemethanamine, 4-ethenyl-, hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260427 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS84092-72-8
  • Purity/Analytical Methods: >99.0%
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84092-72-8 / 1-phenylprop-2-en-1-amine;hydrochloride

Standard CAS: 84092-72-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84092-72-8
Multi CAS
Yes
Molecular Formula
C9H12CLN
Molecular Weight
169.650000
Exact Mass
169.065827
InChI
InChI=1S/C9H11N.ClH/c1-2-8-3-5-9(7-10)6-4-8;/h2-6H,1,7,10H2;1H
InChIKey
NTUILHIVXLQMDN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.82
TPSA
26.02

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
2.29
Consensus LogP
2.2
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.13

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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