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CAS 23913-55-5 2-amino-1-(1-naphthyl)ethanol molecular structure lightbox
CAS RN: 23913-55-5

2-amino-1-(1-naphthyl)ethanol

  • Product code: SSC-116837
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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: 0.25g
  • 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 23913-55-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

23913-55-5 / 2-amino-1-naphthalen-1-ylethanol

Standard CAS: 23913-55-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23913-55-5
Multi CAS
No
Molecular Formula
C12H13NO
Molecular Weight
187.240000
Exact Mass
187.099714
SMILES
C1=CC=C2C(=C1)C=CC=C2C(CN)O
InChI
InChI=1S/C12H13NO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,14H,8,13H2
InChIKey
FWBOVFYHCSVEKC-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
2
H-bond donors
2
Molar refractivity
57.96
TPSA
46.25

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
1.4
Consensus LogP
1.61
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately 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)
-2.56

Drug-likeness / Medicinal Chemistry

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

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