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CAS 68215-44-1 2-AMINO-1-(4-NITROPHENYL)ETHANOL HYDROCHLORIDE molecular structure lightbox
CAS RN: 68215-44-1

2-AMINO-1-(4-NITROPHENYL)ETHANOL HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250112 100mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS68215-44-1
  • Purity/Analytical Methods: >99.0%
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68215-44-1 / 2-amino-1-(4-nitrophenyl)ethanol;hydrochloride

Standard CAS: 68215-44-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68215-44-1
Multi CAS
No
Molecular Formula
C8H11CLN2O3
Molecular Weight
218.640000
Exact Mass
218.045820
InChI
InChI=1S/C8H10N2O3.ClH/c9-5-8(11)6-1-3-7(4-2-6)10(12)13;/h1-4,8,11H,5,9H2;1H
InChIKey
DEXQHYFOYNPWIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.36
TPSA
89.39

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
1.01
Consensus LogP
0.97
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34

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
2

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