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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
5882-44-0 / N,N-dimethylaniline;hydrochloride
Basic Information
CAS
5882-44-0
Multi CAS
Yes
Molecular Formula
C8H12CLN
Molecular Weight
157.640000
Exact Mass
157.065827
InChI
InChI=1S/C8H11N.ClH/c1-9(2)8-6-4-3-5-7-8;/h3-7H,1-2H3;1H
InChIKey
WOAZEKPXTXCPFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.02
TPSA
3.24
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
2.17
Consensus LogP
2.08
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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N,N-DIETHYLANILINE HYDROCHLORIDE
- CAS RN: 5882-45-1
- Product Code: starshine_CAS5882-45-1
- Purity/Analytical method: >99.0%
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