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CAS 1125-70-8 Benzeneacetamide, a-methyl- molecular structure lightbox
CAS RN: 1125-70-8

Benzeneacetamide, a-methyl-

  • Product code: SSC-012903
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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: 1g
  • 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 1125-70-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1125-70-8 / 2-phenylpropanamide

Hydratropamide | 2-phenylpropionamide | NSC-11140

Standard CAS: 1125-70-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1125-70-8
Multi CAS
Yes
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
CC(C1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C9H11NO/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,10,11)
InChIKey
DOZZSWAOPDYVLH-UHFFFAOYSA-N
Synonyms
Hydratropamide 2-phenylpropionamide NSC-11140 NSC-59889 A66DJ2GKP9

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.05
TPSA
43.09

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1.3
Consensus LogP
1.23
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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