![CAS 1187930-12-6 3-(AMinoMethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine Dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187930-12-6.gif)
CAS RN: 1187930-12-6
3-(AMinoMethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine Dihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250806 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-018825
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: 0.1g, 0.25g, 1g, 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.
1187930-12-6 / 3,4-dihydro-2H-1,4-benzoxazin-3-ylmethanamine;dihydrochloride
3-(Aminomethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine Dihydrochloride | (3,4-Dihydro-2H-benzo[b][1,4]oxazin-3-yl)methanamine dihydrochloride | MFCD11506164
Basic Information
CAS
1187930-12-6
Multi CAS
No
Molecular Formula
C9H14Cl2N2O
Molecular Weight
237.120000
Exact Mass
236.048319
SMILES
C1C(NC2=CC=CC=C2O1)CN.Cl.Cl
InChI
InChI=1S/C9H12N2O.2ClH/c10-5-7-6-12-9-4-2-1-3-8(9)11-7;;/h1-4,7,11H,5-6,10H2;2*1H
InChIKey
UDTIHHKFSGPTJU-UHFFFAOYSA-N
Synonyms
3-(Aminomethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine Dihydrochloride
(3,4-Dihydro-2H-benzo[b][1,4]oxazin-3-yl)methanamine dihydrochloride
MFCD11506164
C-(3,4-Dihydro-2H-benzo[1,4]oxazin-3-yl)-methylamine dihydrochloride
3-(Aminomethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine 2HCl
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.9
TPSA
47.28
LogP / Solubility
WLOGP
1.66
MLOGP
1.47
XLogP3
1.66
Consensus LogP
1.6
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 1187930-17-1 6,7-Dihydro-5H-cyclopenta[b]pyridin-5-amine hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
6,7-Dihydro-5H-cyclopenta[b]pyridin-5-amine hydrochloride
- CAS RN: 1187930-17-1
- Product Code: starshine_CAS1187930-17-1
- Purity/Analytical method: >99.0%
-
5,6,7,8-Tetrahydro-quinolin-5-ylamine dihydrochloride
- CAS RN: 1187930-23-9
- Product Code: SSC-018826
-
5-FLUORO-2-METHYL-BENZAMIDINE HYDROCHLORIDE
- CAS RN: 1187930-24-0
- Product Code: SSC-018827
-
N-Boc-3-(aMinoMethyl)Morpholine Hydrochloride
- CAS RN: 1187930-26-2
- Product Code: SSC-018828
-
3-AMino-6-broMopyridin-2(1H)-one hydrobroMide
- CAS RN: 1187930-34-2
- Product Code: SSC-018829
-
6,7-Dihydro-5H-cyclopenta[b]pyridin-7-aMine hydrochloride
- CAS RN: 1187930-42-2
- Product Code: SSC-018830
![CAS 1187930-17-1 6,7-Dihydro-5H-cyclopenta[b]pyridin-5-amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187930-17-1.gif)
![CAS 1187930-42-2 6,7-Dihydro-5H-cyclopenta[b]pyridin-7-aMine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187930-42-2.gif)