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CAS 1134915-25-5 2-Amino-2-(3-(trifluoromethyl)phenyl)acetic acid hydrochloride molecular structure lightbox
CAS RN: 1134915-25-5

2-Amino-2-(3-(trifluoromethyl)phenyl)acetic acid hydrochloride

  • Product code: SSC-013601
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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: 1g, 0.25g, 0.1g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 1134915-25-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
0.1g >97% 0 Out of Stock Beijing Inquiry

1134915-25-5 / 2-amino-2-[3-(trifluoromethyl)phenyl]acetic acid;hydrochloride

2-AMINO-2-(3-(TRIFLUOROMETHYL)PHENYL)ACETIC ACID HYDROCHLORIDE | 2-Amino-2-[3-(trifluoromethyl)phenyl]acetic Acid Hydrochloride | RefChem:463378

Standard CAS: 1134915-25-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1134915-25-5
Multi CAS
No
Molecular Formula
C9H9ClF3NO2
Molecular Weight
255.620000
Exact Mass
255.027391
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(C(=O)O)N.Cl
InChI
InChI=1S/C9H8F3NO2.ClH/c10-9(11,12)6-3-1-2-5(4-6)7(13)8(14)15;/h1-4,7H,13H2,(H,14,15);1H
InChIKey
SECHOAVQAILTSH-UHFFFAOYSA-N
Synonyms
2-AMINO-2-(3-(TRIFLUOROMETHYL)PHENYL)ACETIC ACID HYDROCHLORIDE 2-Amino-2-[3-(trifluoromethyl)phenyl]acetic Acid Hydrochloride RefChem:463378 878-243-4 MFCD07371458

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.26
TPSA
63.32

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
2.21
Consensus LogP
2.12
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
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] H335 (100%): 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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