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CAS 133097-30-0 1-(6-methoxy-2-naphthyl)ethanamine molecular structure lightbox
CAS RN: 133097-30-0

1-(6-methoxy-2-naphthyl)ethanamine

  • Product code: SSC-039792
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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 133097-30-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

133097-30-0 / 1-(6-methoxynaphthalen-2-yl)ethanamine

Standard CAS: 133097-30-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133097-30-0
Multi CAS
No
Molecular Formula
C13H15NO
Molecular Weight
201.260000
Exact Mass
201.115364
SMILES
CC(C1=CC2=C(C=C1)C=C(C=C2)OC)N
InChI
InChI=1S/C13H15NO/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-9H,14H2,1-2H3
InChIKey
VUFKZXAYBCKZFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.1
TPSA
35.25

LogP / Solubility

WLOGP
2.87
MLOGP
2.52
XLogP3
2.6
Consensus LogP
2.66
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-1.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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