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CAS 121-72-2 N,N-Dimethyl-m-toluidine molecular structure lightbox
CAS RN: 121-72-2

N,N-Dimethyl-m-toluidine

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250101 100g In stock Shanghai, Shandong Inquiry
Batchno.20250731 2.5kg Out of stock 8-10 business days Inquiry
Batchno.20250305 25g In stock Shanghai, Guangdong Inquiry
Batchno.20251226 500g In stock Shanghai Inquiry
  • Product code: SSC-022351
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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: 500g
  • 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 121-72-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Shanghai Inquiry

121-72-2 / N,N,3-trimethylaniline

N,N-Dimethyl-m-toluidine | N,N,3-Trimethylaniline | Benzenamine, N,N,3-trimethyl-

Standard CAS: 121-72-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
121-72-2
Multi CAS
No
Molecular Formula
C9H13N
Molecular Weight
135.210000
Exact Mass
135.104799
SMILES
CC1=CC(=CC=C1)N(C)C
InChI
InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3
InChIKey
CWOMTHDOJCARBY-UHFFFAOYSA-N
Synonyms
N,N-Dimethyl-m-toluidine N,N,3-Trimethylaniline Benzenamine, N,N,3-trimethyl- Dimethyl-m-toluidine N,N-Dimethyl-m-methylaniline

Physical Properties

Physical Description
N,n-dimethyl-m-toluidine appears as a clear colorless liquid with an aromatic odor. Density 0.932 g / cm3 (Lancaster) and insoluble in water. Hence floats on water. Toxic by skin absorption and inhalation. May release toxic vapors when burned. Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
45.51
TPSA
3.24

LogP / Solubility

WLOGP
2.06
MLOGP
1.81
XLogP3
2.8
Consensus LogP
2.22
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
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)
-2.08

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)
Acute Toxic Health Hazard
Signal
Danger
GHS Hazard Statements
H301: Toxic if swallowed [Danger Acute toxicity, oral] H311: Toxic in contact with skin [Danger Acute toxicity, dermal] H331: Toxic if inhaled [Danger Acute toxicity, inhalation] H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501

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