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CAS 3665-80-3 N-ETHYL-4-NITROANILINE molecular structure lightbox
CAS RN: 3665-80-3

N-ETHYL-4-NITROANILINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251222 1g / 5g / 10g / 50g Out of stock 5-7 business days Inquiry
  • Product code: SSC-143871
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3665-80-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

3665-80-3 / N-ethyl-4-nitroaniline

Standard CAS: 3665-80-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3665-80-3
Multi CAS
No
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
InChI
InChI=1S/C8H10N2O2/c1-2-9-7-3-5-8(6-4-7)10(11)12/h3-6,9H,2H2,1H3
InChIKey
XBNNLAWQCMDISJ-UHFFFAOYSA-N

Physical Properties

Melting Point
205 °F (NTP, 1992)
Physical Description
N-ethyl-4-nitroaniline appears as yellow crystals with blue-violet luster (from ethanol) or purple-black crystalline solid. (NTP, 1992)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.26
TPSA
55.17

LogP / Solubility

WLOGP
2.03
MLOGP
1.78
XLogP3
2.4
Consensus LogP
2.07
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.29

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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