[email protected]
CAS 1196154-75-2 2-AMino-3,3,3-trifluoropropan-1-ol hydrochloride molecular structure lightbox
CAS RN: 1196154-75-2

2-AMino-3,3,3-trifluoropropan-1-ol hydrochloride

  • Product code: SSC-020244
GET A QUOTE
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
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1196154-75-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1196154-75-2 / 2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride

2-Amino-3,3,3-trifluoro-1-propanol hydrochloride | RefChem:463544 | 841-951-9

Standard CAS: 1196154-75-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1196154-75-2
Multi CAS
Yes
Molecular Formula
C3H7ClF3NO
Molecular Weight
165.540000
Exact Mass
165.016826
SMILES
C(C(C(F)(F)F)N)O.Cl
InChI
InChI=1S/C3H6F3NO.ClH/c4-3(5,6)2(7)1-8;/h2,8H,1,7H2;1H
InChIKey
HIRRLLQTXSVEDV-UHFFFAOYSA-N
Synonyms
2-Amino-3,3,3-trifluoro-1-propanol hydrochloride RefChem:463544 841-951-9 2-AMINO-3,3,3-TRIFLUOROPROPAN-1-OL HYDROCHLORIDE MFCD10697731

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.36
TPSA
46.25

LogP / Solubility

WLOGP
0.29
MLOGP
0.25
XLogP3
0.29
Consensus LogP
0.28
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
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)
-3.52

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] 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

Customers Also Viewed

Get In Touch

Contact Us