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CAS 18370-11-1 N-METHYL-P-TOLUAMIDE molecular structure lightbox
CAS RN: 18370-11-1

N-METHYL-P-TOLUAMIDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260523 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS18370-11-1
  • Purity/Analytical Methods: >99.0%
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18370-11-1 / N,4-dimethylbenzamide

Standard CAS: 18370-11-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18370-11-1
Multi CAS
No
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
CC1=CC=C(C=C1)C(=O)NC
InChI
InChI=1S/C9H11NO/c1-7-3-5-8(6-4-7)9(11)10-2/h3-6H,1-2H3,(H,10,11)
InChIKey
FZIOOTTWDRFBKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.57
TPSA
29.1

LogP / Solubility

WLOGP
1.35
MLOGP
1.19
XLogP3
1.2
Consensus LogP
1.25
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
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)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
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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