CAS RN: 1234988-79-4
N-Ethyl-4-(diMethylaMino)benzylaMine Dihydrochloride
- Product code: SSC-027221
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: 5g, 1g, 25g, 0.1g, 0.25g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 4 In Stock | Shenzhen | Inquiry |
| 25g | ≥95% | 4 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1234988-79-4 / 4-(ethylaminomethyl)-N,N-dimethylaniline;dihydrochloride
Basic Information
CAS
1234988-79-4
Multi CAS
No
Molecular Formula
C11H20Cl2N2
Molecular Weight
251.190000
Exact Mass
250.100354
SMILES
CCNCC1=CC=C(C=C1)N(C)C.Cl.Cl
InChI
InChI=1S/C11H18N2.2ClH/c1-4-12-9-10-5-7-11(8-6-10)13(2)3;;/h5-8,12H,4,9H2,1-3H3;2*1H
InChIKey
BCOVXMVBBIBVAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.65
TPSA
15.27
LogP / Solubility
WLOGP
2.71
MLOGP
2.39
XLogP3
2.71
Consensus LogP
2.6
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
(R)-1-(1H-Benzimidazol-2-yl)ethylamine Hydrochloride
- CAS RN: 1234996-74-7
- Product Code: SSC-027222
-
-
-
N-Fmoc-2,6-difluoro-D-phenylalanine
- CAS RN: 1235020-13-9
- Product Code: starshine_CAS1235020-13-9
- Purity/Analytical method: >99.0%
-
Benzaldehyde, 4,4′-(2,5-thiazolo[5,4-d]thiazolediyl)bis-
- CAS RN: 1235020-92-4
- Product Code: starshine_CAS1235020-92-4
- Purity/Analytical method: >99.0%
-
![CAS 1235020-92-4 Benzaldehyde, 4,4′-(2,5-thiazolo[5,4-d]thiazolediyl)bis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1235020-92-4.gif)
