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CAS 120-66-1 o-Acetotoluidine molecular structure lightbox
CAS RN: 120-66-1

o-Acetotoluidine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251101 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-020798
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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: 100g
  • 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 120-66-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

120-66-1 / N-(2-methylphenyl)acetamide

o-Acetotoluidide | N-(2-Methylphenyl)acetamide | 2'-Methylacetanilide

Standard CAS: 120-66-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
120-66-1
Multi CAS
Yes
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
CC1=CC=CC=C1NC(=O)C
InChI
InChI=1S/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKey
BPEXTIMJLDWDTL-UHFFFAOYSA-N
Synonyms
o-Acetotoluidide N-(2-Methylphenyl)acetamide 2'-Methylacetanilide o-Acetotoluide N-ACETYL-O-TOLUIDINE

Physical Properties

Melting Point
230 °F (NTP, 1992) 110 °C
Boiling Point
565 °F at 760 mmHg (NTP, 1992) 296 °C
Density
1.168 (NTP, 1992) - Denser than water; will sink 1.168 @ 15 °C
Physical Description
O-acetotoluidide appears as colorless crystals. Insoluble in water. (NTP, 1992) Colorless solid; [HSDB] Colorless crystalline powder
Appearance
CRYSTALS COLORLESS
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.48
TPSA
29.1

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
0.9
Consensus LogP
1.52
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.24

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (83.4%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (83.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (83.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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