CAS RN: 1384428-30-1
2-Amino-3-fluoropropan-1-ol hydrochloride
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS1384428-30-1
- Purity/Analytical Methods: >99.0%
1384428-30-1 / 2-amino-3-fluoropropan-1-ol;hydrochloride
Basic Information
CAS
1384428-30-1
Multi CAS
No
Molecular Formula
C3H9ClFNO
Molecular Weight
129.560000
Exact Mass
129.035670
SMILES
C(C(CF)N)O.Cl
InChI
InChI=1S/C3H8FNO.ClH/c4-1-3(5)2-6;/h3,6H,1-2,5H2;1H
InChIKey
YRUKCMQZXUNXTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.28
TPSA
46.25
LogP / Solubility
WLOGP
-0.3
MLOGP
-0.27
XLogP3
-0.3
Consensus LogP
-0.29
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.4
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
Class (SILICOS-IT)
Very 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)
-3.73
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
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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