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: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 3 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
10541-83-0 / 4-(methylamino)benzoic acid
4-(Methylamino)benzoic acid | Benzoic acid, 4-(methylamino)- | 4-Methylaminobenzoic acid
Basic Information
CAS
10541-83-0
Multi CAS
Yes
Molecular Formula
C8H9NO2
Molecular Weight
151.160000
Exact Mass
151.063329
SMILES
CNC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKey
ZVIDMSBTYRSMAR-UHFFFAOYSA-N
Synonyms
4-(Methylamino)benzoic acid
Benzoic acid, 4-(methylamino)-
4-Methylaminobenzoic acid
N-Methyl-4-aminobenzoic acid
4-(N-Methylamino)benzoic acid
Physical Properties
Physical Description
Beige powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.95
TPSA
49.33
LogP / Solubility
WLOGP
1.43
MLOGP
1.25
XLogP3
2.2
Consensus LogP
1.63
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.63
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 (89.8%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (20.4%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (81.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (20.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (20.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
