CAS RN: 1431699-56-7
(R)-2-Nitro-α-MethylbenzylaMine Hydrochloride
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.20260313 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-054502
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 | Shenzhen | Inquiry |
1431699-56-7 / (1R)-1-(2-nitrophenyl)ethanamine;hydrochloride
Basic Information
CAS
1431699-56-7
Multi CAS
No
Molecular Formula
C8H11ClN2O2
Molecular Weight
202.640000
Exact Mass
202.050905
SMILES
C[C@H](C1=CC=CC=C1[N+](=O)[O-])N.Cl
InChI
InChI=1S/C8H10N2O2.ClH/c1-6(9)7-4-2-3-5-8(7)10(11)12;/h2-6H,9H2,1H3;1H/t6-;/m1./s1
InChIKey
HFXVLGOYQIKRTO-FYZOBXCZSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.95
TPSA
69.16
LogP / Solubility
WLOGP
2.04
MLOGP
1.79
XLogP3
2.04
Consensus LogP
1.96
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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