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CAS 1027-14-1 2-(diethylamino)-N-(2,4,6-trimethylphenyl)acetamide monohydrochloride molecular structure lightbox
CAS RN: 1027-14-1

2-(diethylamino)-N-(2,4,6-trimethylphenyl)acetamide monohydrochloride

  • Product code: SSC-004018
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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: 100g
  • 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 1027-14-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

1027-14-1 / 2-(diethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride

Mesokain | Trimekain hydrochloride | EINECS 213-836-8

Standard CAS: 1027-14-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1027-14-1
Multi CAS
Yes
Molecular Formula
C15H25ClN2O
Molecular Weight
284.820000
Exact Mass
284.165541
SMILES
CCN(CC)CC(=O)NC1=C(C=C(C=C1C)C)C.Cl
InChI
InChI=1S/C15H24N2O.ClH/c1-6-17(7-2)10-14(18)16-15-12(4)8-11(3)9-13(15)5;/h8-9H,6-7,10H2,1-5H3,(H,16,18);1H
InChIKey
KOOGJYYOMPUGCW-UHFFFAOYSA-N
Synonyms
Mesokain Trimekain hydrochloride EINECS 213-836-8 UNII-5491FXS1NB N-sym-Trimethylphenyldiethylaminoacetamide hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
84.32
TPSA
32.34

LogP / Solubility

WLOGP
3.31
MLOGP
2.93
XLogP3
3.31
Consensus LogP
3.18
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1

Drug-likeness / Medicinal Chemistry

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