CAS RN: 1205-64-7
3-Methyldiphenylamine
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250721 | 10g / 50g / 250g / 1kg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-021534
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 10g, 25g, 100g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 500g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
1205-64-7 / 3-methyl-N-phenylaniline
3-METHYLDIPHENYLAMINE | 3-methyl-N-phenylaniline | N-Phenyl-m-toluidine
Basic Information
CAS
1205-64-7
Multi CAS
Yes
Molecular Formula
C13H13N
Molecular Weight
183.250000
Exact Mass
183.104799
SMILES
CC1=CC(=CC=C1)NC2=CC=CC=C2
InChI
InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3
InChIKey
TWPMMLHBHPYSMT-UHFFFAOYSA-N
Synonyms
3-METHYLDIPHENYLAMINE
3-methyl-N-phenylaniline
N-Phenyl-m-toluidine
Benzenamine, 3-methyl-N-phenyl-
N-Phenyl-3-methylaniline
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.9
TPSA
12.03
LogP / Solubility
WLOGP
3.74
MLOGP
3.29
XLogP3
3.8
Consensus LogP
3.61
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
