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CAS 4165-61-1 ANILINE D5 molecular structure lightbox
CAS RN: 4165-61-1

ANILINE D5

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250906 1g In stock Inquiry
Batchno.20250221 200mg In stock Inquiry
Batchno.20260418 5g In stock Inquiry
  • Product code: SSC-150038
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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: 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • 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 4165-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

4165-61-1 / aniline

Standard CAS: 4165-61-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4165-61-1
Multi CAS
Yes
Molecular Formula
C6H7N
Molecular Weight
93.130000
Exact Mass
93.057849
InChI
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChIKey
PAYRUJLWNCNPSJ-UHFFFAOYSA-N

Physical Properties

Melting Point
21 °F (EPA, 1998) -6.0 °C -6 °C 21 °F
Boiling Point
363 to 367 °F at 760 mmHg (EPA, 1998) 184.1 °C 184.00 to 185.00 °C. @ 760.00 mm Hg 184 °C 363 °F
Density
1.022 at 68 °F (EPA, 1998) - Denser than water; will sink 1.0217 at 20 °C/20 °C Relative density (water = 1): 1.02 1.02
Physical Description
Aniline appears as a yellowish to brownish oily liquid with a musty fishy odor. Melting point -6 °C; boiling point 184 °C; flash point 158 °F. Denser than water (8.5 lb / gal) and slightly soluble in water. Vapors heavier than air. Toxic by skin absorption and inhalation. Produces toxic oxides of nitrogen during combustion. Used to manufacture other chemicals, especially dyes, photographic chemicals, agricultural chemicals and others. Liquid; Pellets or Large Crystals Colorless to brown, oily liquid with an aromatic amine-like odor; Note: A solid below 21 degrees F; [NIOSH] Liquid COLOURLESS OILY LIQUID WITH CHARACTERISTIC ODOUR. TURNS BROWN ON EXPOSURE TO AIR OR LIGHT.
Appearance
Oily liquid; colorless when freshly distilled, darkens on exposure to air and light Colorless with a bluish fluorescence when freshly distilled Colorless to brown, oily liquid [Note: A solid below 21 °F]
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
30.85
TPSA
26.02

LogP / Solubility

WLOGP
1.27
MLOGP
1.1
XLogP3
0.9
Consensus LogP
1.09
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
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)
-2.39

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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