CAS RN: 1131737-02-4
(R)-1,1,1-Trifluoro-2-butylamine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250413 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1131737-02-4
- Purity/Analytical Methods: >99.0%
1131737-02-4 / (2R)-1,1,1-trifluorobutan-2-amine
1,1,1-trifluorobutan-2-amine | DTXSID80395820 | RefChem:409494
Basic Information
CAS
1131737-02-4
Multi CAS
Yes
Molecular Formula
C4H8F3N
Molecular Weight
127.110000
Exact Mass
127.060884
SMILES
CC[C@H](C(F)(F)F)N
InChI
InChI=1S/C4H8F3N/c1-2-3(8)4(5,6)7/h3H,2,8H2,1H3/t3-/m1/s1
InChIKey
PKAILYMPWXXBJS-GSVOUGTGSA-N
Synonyms
1,1,1-trifluorobutan-2-amine
DTXSID80395820
RefChem:409494
DTXCID20346679
897-521-6
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
24.32
TPSA
26.02
LogP / Solubility
WLOGP
1.29
MLOGP
1.12
XLogP3
1.4
Consensus LogP
1.27
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-2.58
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)
Flammable
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501
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