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CAS 1120-07-6 NONANAMIDE molecular structure lightbox
CAS RN: 1120-07-6

NONANAMIDE

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Batchno.20250608 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1120-07-6
  • Purity/Analytical Methods: >99.0%
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1120-07-6 / nonanamide

Nonanamide | Pelargonamide | Nonamide

Standard CAS: 1120-07-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1120-07-6
Multi CAS
Yes
Molecular Formula
C9H19NO
Molecular Weight
157.250000
Exact Mass
157.146664
SMILES
CCCCCCCCC(=O)N
InChI
InChI=1S/C9H19NO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H2,10,11)
InChIKey
GHLZUHZBBNDWHW-UHFFFAOYSA-N
Synonyms
Nonanamide Pelargonamide Nonamide Nonan-1-amide pelargonic amide

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.19
TPSA
43.09

LogP / Solubility

WLOGP
2.22
MLOGP
1.95
XLogP3
2.9
Consensus LogP
2.36
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.37
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)
-2.1

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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