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CAS 85-91-6 Methyl N-Methyl-2-aminobenzoate molecular structure lightbox
CAS RN: 85-91-6

Methyl N-Methyl-2-aminobenzoate

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260318 100g In stock Inquiry
Batchno.20250603 10g In stock Inquiry
Batchno.20260605 25g In stock Inquiry
Batchno.20250707 500g In stock Inquiry
Batchno.20250621 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250827 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei, Chongqing Inquiry
  • Product code: SSC-192844
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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: 25g, 100g
  • Available purity: ≥98%
  • 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 85-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

85-91-6 / methyl 2-(methylamino)benzoate

Standard CAS: 85-91-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
85-91-6
Multi CAS
Yes
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
InChI
InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3
InChIKey
GVOWHGSUZUUUDR-UHFFFAOYSA-N

Physical Properties

Melting Point
18.5-19.5 °C 19 °C
Boiling Point
256 °C @ 760 MM HG 255.00 to 256.00 °C. @ 760.00 mm Hg
Density
1.120 @ 15 °C 1.124-1.132
Physical Description
Colorless or pale yellow liquid with an odor of grapes; [Hawley] Pale-yellow liquid with a slightly blue fluorescence or solid; Odor like orange peels; mp = 18.5-19.5 deg C; [HSDB] Liquid Pale yellow liquid with bluish fluorescence; Grape-like aroma
Appearance
PALE-YELLOW LIQ WITH SLIGHT BLUISH FLUORESCENCE CRYSTALS FROM PETROLEUM ETHER
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.33
TPSA
38.33

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
2.3
Consensus LogP
1.71
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.65

Drug-likeness / Medicinal Chemistry

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

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