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CAS 1171331-39-7 2-AMino-N-(2,2,2-trifluoroethyl)acetaMide hydrochloride molecular structure lightbox
CAS RN: 1171331-39-7

2-AMino-N-(2,2,2-trifluoroethyl)acetaMide hydrochloride

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250705 100g Out of stock Inquiry
Batchno.20250514 1g In stock Inquiry
Batchno.20251101 25g In stock Inquiry
Batchno.20250517 5g In stock Inquiry
  • Product code: SSC-016979
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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: 5g
  • 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 1171331-39-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1171331-39-7 / 2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride

Acetamide, 2-amino-N-(2,2,2-trifluoroethyl)-, hydrochloride (1:1) | 2-Amino-N-(2,2,2-trifluoroethyl)acetamide hydrochloride (1:1) | EC 806-518-0

Standard CAS: 1171331-39-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1171331-39-7
Multi CAS
No
Molecular Formula
C4H8ClF3N2O
Molecular Weight
192.570000
Exact Mass
192.027725
SMILES
C(C(=O)NCC(F)(F)F)N.Cl
InChI
InChI=1S/C4H7F3N2O.ClH/c5-4(6,7)2-9-3(10)1-8;/h1-2,8H2,(H,9,10);1H
InChIKey
DBNFKWRZLGVLSH-UHFFFAOYSA-N
Synonyms
Acetamide, 2-amino-N-(2,2,2-trifluoroethyl)-, hydrochloride (1:1) 2-Amino-N-(2,2,2-trifluoroethyl)acetamide hydrochloride (1:1) EC 806-518-0 RefChem:464938 806-518-0

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.37
TPSA
55.12

LogP / Solubility

WLOGP
0.05
MLOGP
0.04
XLogP3
0.05
Consensus LogP
0.05
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-3.86

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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