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CAS 1172726-20-3 2-(METHYLAMINO)-N-(4-METHYLPHENYL)ACETAMIDE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1172726-20-3

2-(METHYLAMINO)-N-(4-METHYLPHENYL)ACETAMIDE HYDROCHLORIDE

  • Product code: SSC-017137
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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: 0.25g
  • 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 1172726-20-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1172726-20-3 / 2-(methylamino)-N-(4-methylphenyl)acetamide;hydrochloride

2-(methylamino)-N-(4-methylphenyl)acetamide hydrochloride | MFCD08445327 | 2-(Methylamino)-N-(p-tolyl)acetamide hydrochloride

Standard CAS: 1172726-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1172726-20-3
Multi CAS
No
Molecular Formula
C10H15ClN2O
Molecular Weight
214.690000
Exact Mass
214.087291
SMILES
CC1=CC=C(C=C1)NC(=O)CNC.Cl
InChI
InChI=1S/C10H14N2O.ClH/c1-8-3-5-9(6-4-8)12-10(13)7-11-2;/h3-6,11H,7H2,1-2H3,(H,12,13);1H
InChIKey
CYSZMVVRIHNMBC-UHFFFAOYSA-N
Synonyms
2-(methylamino)-N-(4-methylphenyl)acetamide hydrochloride MFCD08445327 2-(Methylamino)-N-(p-tolyl)acetamide hydrochloride 2-(methylamino)-N-(4-methylphenyl)acetamide;hydrochloride AKOS015846259

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.98
TPSA
41.13

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
1.57
Consensus LogP
1.51
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.91

Drug-likeness / Medicinal Chemistry

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

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