CAS RN: 120-21-8
4-Diethylaminobenzaldehyde
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251109 | 100g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250122 | 250g | In stock | Shanghai | Inquiry |
| Batchno.20251013 | 25g / 100g / 500g / 2.5kg / 10kg | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20260622 | 5g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
- Product code: ICTD0463
- Purity/Analytical Methods: >99.0%(GC)(T)
120-21-8 / 4-(diethylamino)benzaldehyde
4-(Diethylamino)benzaldehyde | 4-Diethylaminobenzaldehyde | Benzaldehyde, 4-(diethylamino)-
Basic Information
CAS
120-21-8
Multi CAS
Yes
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
SMILES
CCN(CC)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3
InChIKey
MNFZZNNFORDXSV-UHFFFAOYSA-N
Synonyms
4-(Diethylamino)benzaldehyde
4-Diethylaminobenzaldehyde
Benzaldehyde, 4-(diethylamino)-
p-(Diethylamino)benzaldehyde
p-Formyl-N,N-diethylaniline
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
55.39
TPSA
20.31
LogP / Solubility
WLOGP
2.35
MLOGP
2.06
XLogP3
2.5
Consensus LogP
2.3
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-2.14
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
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (68.2%): Harmful if swallowed [Warning Acute toxicity, oral]
H311 (97.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H315 (99.4%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (99.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (98.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501
