![CAS 1258874-29-1 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzylamine Hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3448-jpgcontextbwfzdgvyfhjvb3r8mze0njz8aw1hz2uvanblz3xooguvaddmlzg5mzi3mdk3njewntqvvdm0ndguanbnfddlzdfkmjayndg4yji5odc0ogzjywzinzq3mzzintgzntq5yji4yte2mzm1zmq4ndk3ytu4mdcxmje2zmu3ywe.jpeg)
CAS RN: 1258874-29-1
4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzylamine Hydrochloride
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260130 | 100mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250606 | 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250920 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250618 | 200mg | In stock | Shanghai | Inquiry | |
| Batchno.20250409 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: SSC-031248
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: 0.25g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1258874-29-1 / [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride
Basic Information
CAS
1258874-29-1
Multi CAS
No
Molecular Formula
C9H9ClF3N3
Molecular Weight
251.630000
Exact Mass
251.043710
SMILES
C1=CC(=CC=C1CN)C2(N=N2)C(F)(F)F.Cl
InChI
InChI=1S/C9H8F3N3.ClH/c10-9(11,12)8(14-15-8)7-3-1-6(5-13)2-4-7;/h1-4H,5,13H2;1H
InChIKey
DNTDGTWJZOMTAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.17
TPSA
50.74
LogP / Solubility
WLOGP
2.75
MLOGP
2.42
XLogP3
2.75
Consensus LogP
2.64
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly 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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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