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CAS 116530-22-4 1-Amino-6-methylnaphthalene molecular structure lightbox
CAS RN: 116530-22-4

1-Amino-6-methylnaphthalene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260313 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-016513
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 0.1g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 116530-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 5 In Stock Shenzhen Inquiry
0.1g ≥97% 4 In Stock Shenzhen Inquiry
1g ≥97% 3 In Stock Beijing Inquiry
5g ≥97% 3 In Stock Shanghai Inquiry

116530-22-4 / 6-methylnaphthalen-1-amine

6-Methylnaphthalen-1-amine | 1-Amino-6-methylnaphthalene | 1-Naphthalenamine, 6-methyl-

Standard CAS: 116530-22-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116530-22-4
Multi CAS
No
Molecular Formula
C11H11N
Molecular Weight
157.210000
Exact Mass
157.089149
SMILES
CC1=CC2=C(C=C1)C(=CC=C2)N
InChI
InChI=1S/C11H11N/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h2-7H,12H2,1H3
InChIKey
JHQJTDIFWIZURA-UHFFFAOYSA-N
Synonyms
6-Methylnaphthalen-1-amine 1-Amino-6-methylnaphthalene 1-Naphthalenamine, 6-methyl- MFCD17012483 6-Methylnaphthalen-1-ylamine

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.09
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.1
TPSA
26.02

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
2.6
Consensus LogP
2.58
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-1.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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