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CAS 14948-94-8 2-Naphthalenecarboximidamide hydrochloride molecular structure lightbox
CAS RN: 14948-94-8

2-Naphthalenecarboximidamide hydrochloride

  • Product code: SSC-059499
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 14948-94-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

14948-94-8 / naphthalene-2-carboximidamide;hydrochloride

Standard CAS: 14948-94-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14948-94-8
Multi CAS
No
Molecular Formula
C11H11ClN2
Molecular Weight
206.670000
Exact Mass
206.061076
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=N)N.Cl
InChI
InChI=1S/C11H10N2.ClH/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H3,12,13);1H
InChIKey
IGXALCCFUFBKQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
62.21
TPSA
49.87

LogP / Solubility

WLOGP
2.55
MLOGP
2.24
XLogP3
2.55
Consensus LogP
2.45
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

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
1.5

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