CAS RN: 213814-61-0
N-benzyl-3-bromoaniline
Product Availability
Choose a grade to view its available package options.
9 package records3 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250310 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-102379
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, 0.1g, 0.25g, 5g, 10g
- Available purity: >97%
- 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 |
|---|---|---|---|---|
| 1g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 0.1g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 1 In Stock | Beijing | Inquiry |
| 10g | >97% | 1 In Stock | Shanghai | Inquiry |
213814-61-0 / N-benzyl-3-bromoaniline
Basic Information
CAS
213814-61-0
Multi CAS
No
Molecular Formula
C13H12BrN
Molecular Weight
262.140000
Exact Mass
261.015310
SMILES
C1=CC=C(C=C1)CNC2=CC(=CC=C2)Br
InChI
InChI=1S/C13H12BrN/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9,15H,10H2
InChIKey
NUZUUCXESJBUMX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.91
TPSA
12.03
LogP / Solubility
WLOGP
4.06
MLOGP
3.58
XLogP3
3.8
Consensus LogP
3.81
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
3-(DiMethylaMino)-1-(4-Methoxyphenyl)propan-1-one
- CAS RN: 2138-33-2
- Product Code: SSC-102320
-
-
(3AR,8AR)-(-)-(2,2-DIMETHYL-4,4,8,8-TETRAPHENYL-TETRAHYDRO-[1,3]DIOXOLO[4,5-E][1,3,2]DIOXAPHOSPHEPIN-6-YL)DIMETHYLAMINE
- CAS RN: 213843-90-4
- Product Code: SSC-102487
![CAS 213833-68-2 8-iodo-1,4-dioxaspiro[4.5]decane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/213833-68-2.gif)
![CAS 213843-90-4 (3AR,8AR)-(-)-(2,2-DIMETHYL-4,4,8,8-TETRAPHENYL-TETRAHYDRO-[1,3]DIOXOLO[4,5-E][1,3,2]DIOXAPHOSPHEPIN-6-YL)DIMETHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/213843-90-4.gif)