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CAS 551-09-7 N-(1-naphthyl)ethylenediamine molecular structure lightbox
CAS RN: 551-09-7

N-(1-naphthyl)ethylenediamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250305 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Guangdong, Hebei Inquiry
  • Product code: starshine_CAS551-09-7
  • Purity/Analytical Methods: >99.0%
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551-09-7 / N'-naphthalen-1-ylethane-1,2-diamine

Standard CAS: 551-09-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
551-09-7
Multi CAS
No
Molecular Formula
C12H14N2
Molecular Weight
186.250000
Exact Mass
186.115698
InChI
InChI=1S/C12H14N2/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14H,8-9,13H2
InChIKey
NULAJYZBOLVQPQ-UHFFFAOYSA-N

Physical Properties

Physical Description
Straw-yellow viscous liquid; [Merck Index]
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.49
TPSA
38.05

LogP / Solubility

WLOGP
2.21
MLOGP
1.94
XLogP3
1.9
Consensus LogP
2.02
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-2.29

Drug-likeness / Medicinal Chemistry

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

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