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CAS 80096-57-7 C-(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-METHYLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 80096-57-7

C-(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-METHYLAMINE HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250713 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-189088
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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 80096-57-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

80096-57-7 / 1,2,3,4-tetrahydronaphthalen-1-ylmethanamine;hydrochloride

Standard CAS: 80096-57-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80096-57-7
Multi CAS
No
Molecular Formula
C11H16CLN
Molecular Weight
197.700000
Exact Mass
197.097127
InChI
InChI=1S/C11H15N.ClH/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-2,4,7,10H,3,5-6,8,12H2;1H
InChIKey
GIRBHZUXYMPUEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.42
TPSA
26.02

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
2.49
Consensus LogP
2.39
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

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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