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CAS 61185-89-5 N-Ethylbenzeneethanamine hydrochloride molecular structure lightbox
CAS RN: 61185-89-5

N-Ethylbenzeneethanamine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250910 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS61185-89-5
  • Purity/Analytical Methods: >99.0%
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61185-89-5 / N-ethyl-2-phenylethanamine;hydrochloride

Standard CAS: 61185-89-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61185-89-5
Multi CAS
Yes
Molecular Formula
C10H16CLN
Molecular Weight
185.690000
Exact Mass
185.097127
InChI
InChI=1S/C10H15N.ClH/c1-2-11-9-8-10-6-4-3-5-7-10;/h3-7,11H,2,8-9H2,1H3;1H
InChIKey
KEVLAWGGXZKVMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.94
TPSA
12.03

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
2.26
Consensus LogP
2.17
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
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)
-2.25

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
1.5

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