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CAS 10072-05-6 Methyl 2-(Dimethylamino)benzoate molecular structure lightbox
CAS RN: 10072-05-6

Methyl 2-(Dimethylamino)benzoate

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 1g / 5g / 25g Confirm by inquiry Shanghai, Chongqing Inquiry
  • Product code: ICTD0675
  • Purity/Analytical Methods: >97.0%(GC)(T)
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10072-05-6 / methyl 2-(dimethylamino)benzoate

Methyl 2-(dimethylamino)benzoate | Methyl N,N-dimethylanthranilate | Benzoic acid, 2-(dimethylamino)-, methyl ester

Standard CAS: 10072-05-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
10072-05-6
Multi CAS
Yes
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
SMILES
CN(C)C1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C10H13NO2/c1-11(2)9-7-5-4-6-8(9)10(12)13-3/h4-7H,1-3H3
InChIKey
ZCNSBHAIPOWHJE-UHFFFAOYSA-N
Synonyms
Methyl 2-(dimethylamino)benzoate Methyl N,N-dimethylanthranilate Benzoic acid, 2-(dimethylamino)-, methyl ester UNII-77LQP0681T 77LQP0681T

Physical Properties

Density
1.093-1.099
Physical Description
Yellowish liquid to solid; Fruity orange leaf type aroma
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.11
TPSA
29.54

LogP / Solubility

WLOGP
1.54
MLOGP
1.35
XLogP3
1.9
Consensus LogP
1.6
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately 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)
-2.72

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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