CAS RN: 13250-12-9
(R)-(-)-sec-Butylamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251124 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: ICTB2917
- Purity/Analytical Methods: >98.0%(GC)(T)
13250-12-9 / (2R)-butan-2-amine
Basic Information
CAS
13250-12-9
Multi CAS
No
Molecular Formula
C4H11N
Molecular Weight
73.140000
Exact Mass
73.089149
SMILES
CC[C@@H](C)N
InChI
InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/t4-/m1/s1
InChIKey
BHRZNVHARXXAHW-SCSAIBSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
23.94
TPSA
26.02
LogP / Solubility
WLOGP
0.74
MLOGP
0.64
XLogP3
0.6
Consensus LogP
0.66
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Flammable
Corrosive
Irritant
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H332: Harmful if inhaled [Warning Acute toxicity, inhalation]
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P391, P403+P235, P405, and P501
