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CAS 92-00-2 N,N-Bis(2-hydroxyethyl)-3-chloroaniline molecular structure lightbox
CAS RN: 92-00-2

N,N-Bis(2-hydroxyethyl)-3-chloroaniline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250621 5g In stock Shanghai Inquiry
  • Product code: ICTB0490
  • Purity/Analytical Methods: >90.0%(GC)
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92-00-2 / 2-[3-chloro-N-(2-hydroxyethyl)anilino]ethanol

Standard CAS: 92-00-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
92-00-2
Multi CAS
Yes
Molecular Formula
C10H14CLNO2
Molecular Weight
215.670000
Exact Mass
215.071306
InChI
InChI=1S/C10H14ClNO2/c11-9-2-1-3-10(8-9)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7H2
InChIKey
MVQUJEUCFOGFJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.84
TPSA
43.7

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
1.3
Consensus LogP
1.14
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-3.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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