CAS RN: 1971-81-9
4-DIMETHYLAMINO-1-NAPHTHALDEHYDE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260409 | 100mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250106 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260504 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250607 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250606 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS1971-81-9
- Purity/Analytical Methods: >99.0%
1971-81-9 / 4-(dimethylamino)naphthalene-1-carbaldehyde
Basic Information
CAS
1971-81-9
Multi CAS
No
Molecular Formula
C13H13NO
Molecular Weight
199.250000
Exact Mass
199.099714
SMILES
CN(C)C1=CC=C(C2=CC=CC=C21)C=O
InChI
InChI=1S/C13H13NO/c1-14(2)13-8-7-10(9-15)11-5-3-4-6-12(11)13/h3-9H,1-2H3
InChIKey
XCQFZIFIUMBSAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
63.66
TPSA
20.31
LogP / Solubility
WLOGP
2.72
MLOGP
2.39
XLogP3
2.9
Consensus LogP
2.67
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
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)
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 (100%): 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
