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CAS 51905-47-6 N-(2-BROMOETHYL)-N-METHYLANILINE molecular structure lightbox
CAS RN: 51905-47-6

N-(2-BROMOETHYL)-N-METHYLANILINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260209 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS51905-47-6
  • Purity/Analytical Methods: >99.0%
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51905-47-6 / N-(2-bromoethyl)-N-methylaniline

Standard CAS: 51905-47-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51905-47-6
Multi CAS
No
Molecular Formula
BC9H12Rn
Molecular Weight
214.100000
Exact Mass
213.015310
InChI
InChI=1S/C9H12BrN/c1-11(8-7-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
JSNHRRGVZQEAOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
53.51
TPSA
3.24

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.8
Consensus LogP
2.51
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly 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)
-2.24

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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