CAS RN: 2017-67-6
2-(2-NAPHTHYL)ETHYLAMINE 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.20250731 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2017-67-6
- Purity/Analytical Methods: >99.0%
2017-67-6 / 2-naphthalen-2-ylethanamine;hydrochloride
Basic Information
CAS
2017-67-6
Multi CAS
No
Molecular Formula
C12H14ClN
Molecular Weight
207.700000
Exact Mass
207.081477
SMILES
C1=CC=C2C=C(C=CC2=C1)CCN.Cl
InChI
InChI=1S/C12H13N.ClH/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10;/h1-6,9H,7-8,13H2;1H
InChIKey
VJPPXKBLHHCXLG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.95
TPSA
26.02
LogP / Solubility
WLOGP
2.76
MLOGP
2.43
XLogP3
2.76
Consensus LogP
2.65
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
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