CAS RN: 19673-09-7
Ethanimidamide, N-(phenylmethyl)-, hydrochloride (1:1)
- Product code: SSC-092857
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 | Beijing | Inquiry |
19673-09-7 / N'-benzylethanimidamide;hydrochloride
Basic Information
CAS
19673-09-7
Multi CAS
No
Molecular Formula
C9H13ClN2
Molecular Weight
184.660000
Exact Mass
184.076726
SMILES
CC(=NCC1=CC=CC=C1)N.Cl
InChI
InChI=1S/C9H12N2.ClH/c1-8(10)11-7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3,(H2,10,11);1H
InChIKey
WZATYSOSTXBEJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.69
TPSA
38.38
LogP / Solubility
WLOGP
1.99
MLOGP
1.75
XLogP3
1.99
Consensus LogP
1.91
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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