![CAS 1021392-83-5 3-[(Phenylmethyl)amino]-3… molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1021392-83-5.gif)
CAS RN: 1021392-83-5
3-[(Phenylmethyl)amino]-3…
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.20250304 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-003408
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1021392-83-5 / 3-(aminomethyl)-N-benzyloxetan-3-amine
3-(aminomethyl)-N-benzyloxetan-3-amine | 3-[(PHENYLMETHYL)AMINO]-3-OXETANEMETHANAMINE | MFCD17168407
Basic Information
CAS
1021392-83-5
Multi CAS
No
Molecular Formula
C11H16N2O
Molecular Weight
192.260000
Exact Mass
192.126263
SMILES
C1C(CO1)(CN)NCC2=CC=CC=C2
InChI
InChI=1S/C11H16N2O/c12-7-11(8-14-9-11)13-6-10-4-2-1-3-5-10/h1-5,13H,6-9,12H2
InChIKey
KIIWSWUJHJELRW-UHFFFAOYSA-N
Synonyms
3-(aminomethyl)-N-benzyloxetan-3-amine
3-[(PHENYLMETHYL)AMINO]-3-OXETANEMETHANAMINE
MFCD17168407
3-OXETANEMETHANAMINE, 3-[(PHENYLMETHYL)AMINO]-
(3-Aminomethyl-oxetan-3-yl)-benzyl-amine
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.89
TPSA
47.28
LogP / Solubility
WLOGP
0.5
MLOGP
0.44
XLogP3
-0.1
Consensus LogP
0.28
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
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)
-3.54
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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