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CAS 1046757-38-3 2-AMINO-N-(2,3,4-TRIFLUOROPHENYL)ACETAMIDE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1046757-38-3

2-AMINO-N-(2,3,4-TRIFLUOROPHENYL)ACETAMIDE HYDROCHLORIDE

  • Product code: SSC-006422
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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 1046757-38-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1046757-38-3 / 2-amino-N-(2,3,4-trifluorophenyl)acetamide;hydrochloride

2-amino-N-(2,3,4-trifluorophenyl)acetamide hydrochloride | MFCD07287300 | 2-amino-N-(2,3,4-trifluorophenyl)acetamide;hydrochloride

Standard CAS: 1046757-38-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1046757-38-3
Multi CAS
No
Molecular Formula
C8H8ClF3N2O
Molecular Weight
240.610000
Exact Mass
240.027725
SMILES
C1=CC(=C(C(=C1NC(=O)CN)F)F)F.Cl
InChI
InChI=1S/C8H7F3N2O.ClH/c9-4-1-2-5(8(11)7(4)10)13-6(14)3-12;/h1-2H,3,12H2,(H,13,14);1H
InChIKey
URCPVDIDZOUHJX-UHFFFAOYSA-N
Synonyms
2-amino-N-(2,3,4-trifluorophenyl)acetamide hydrochloride MFCD07287300 2-amino-N-(2,3,4-trifluorophenyl)acetamide;hydrochloride N~1~-(2,3,4-Trifluorophenyl)glycinamide hydrochloride AKOS000100010

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.25
TPSA
55.12

LogP / Solubility

WLOGP
1.42
MLOGP
1.26
XLogP3
1.42
Consensus LogP
1.37
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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