CAS RN: 20218-55-7
(S)-(-)-N-METHYL-1-(1-NAPHTHYL)ETHYLAMINE
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.20260611 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS20218-55-7
- Purity/Analytical Methods: >99.0%
20218-55-7 / (1S)-N-methyl-1-naphthalen-1-ylethanamine
Basic Information
CAS
20218-55-7
Multi CAS
No
Molecular Formula
C13H15N
Molecular Weight
185.260000
Exact Mass
185.120449
SMILES
C[C@@H](C1=CC=CC2=CC=CC=C21)NC
InChI
InChI=1S/C13H15N/c1-10(14-2)12-9-5-7-11-6-3-4-8-13(11)12/h3-10,14H,1-2H3/t10-/m0/s1
InChIKey
YYETYHLXPGYQPZ-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.42
TPSA
12.03
LogP / Solubility
WLOGP
3.12
MLOGP
2.74
XLogP3
2.9
Consensus LogP
2.92
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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 (100%): 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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