CAS RN: 2687-25-4
2,3-Diaminotoluene
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
- Product code: SSC-125223
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: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2687-25-4 / 3-methylbenzene-1,2-diamine
Basic Information
CAS
2687-25-4
Multi CAS
No
Molecular Formula
C7H10N2
Molecular Weight
122.170000
Exact Mass
122.084398
SMILES
CC1=C(C(=CC=C1)N)N
InChI
InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3
InChIKey
AXNUJYHFQHQZBE-UHFFFAOYSA-N
Physical Properties
Melting Point
63.5 °C
Boiling Point
255 °C
Physical Description
Other Solid
Solid; [HSDB] Brown powder
Appearance
Crystals
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40
TPSA
52.04
LogP / Solubility
WLOGP
1.16
MLOGP
1.01
XLogP3
0.9
Consensus LogP
1.02
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-2.64
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
