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CAS 134297-36-2 3,3,3-Trifluoroalanine methyl ester hydrochloride molecular structure lightbox
CAS RN: 134297-36-2

3,3,3-Trifluoroalanine methyl ester hydrochloride

  • Product code: SSC-041862
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 134297-36-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g -- 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry
10g -- 0 Out of Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g -- 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

134297-36-2 / methyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride

Standard CAS: 134297-36-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
134297-36-2
Multi CAS
No
Molecular Formula
C4H7ClF3NO2
Molecular Weight
193.550000
Exact Mass
193.011741
SMILES
COC(=O)C(C(F)(F)F)N.Cl
InChI
InChI=1S/C4H6F3NO2.ClH/c1-10-3(9)2(8)4(5,6)7;/h2H,8H2,1H3;1H
InChIKey
HFMMPCAGCWNDCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.29
TPSA
52.32

LogP / Solubility

WLOGP
0.47
MLOGP
0.41
XLogP3
0.47
Consensus LogP
0.45
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-3.57

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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301+H311+H331 (81.8%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H319 (13.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P337+P317, P361+P364, P403+P233, P405, and P501

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