CAS RN: 13360-63-9
N-Ethylbutylamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250912 | 5g / 25ml / 25g / 100ml / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Hebei | 8-10 business days | Inquiry |
- Product code: ICTB0235
- Purity/Analytical Methods: >99.0%(GC)
13360-63-9 / N-ethylbutan-1-amine
Basic Information
CAS
13360-63-9
Multi CAS
No
Molecular Formula
C6H15N
Molecular Weight
101.190000
Exact Mass
101.120449
SMILES
CCCCNCC
InChI
InChI=1S/C6H15N/c1-3-5-6-7-4-2/h7H,3-6H2,1-2H3
InChIKey
QHCCDDQKNUYGNC-UHFFFAOYSA-N
Physical Properties
Melting Point
-108 °F (NTP, 1992)
Freezing point: -78 °C
Boiling Point
226 to 228 °F at 760 mmHg (NTP, 1992)
107.5 °C
Density
0.7398 at 68 °F (USCG, 1999) - Less dense than water; will float
0.7398 g/cu cm at 20 °C/4 °C
Physical Description
Ethyl-n-butylamine appears as a colorless liquid with an ammonia-like odor. Insoluble in water and less dense than water. Flash point 65 °F. Vapors much heavier than air. Liquid and vapors strongly irritate skin, eyes and mucous membranes. Contact with liquid may cause burns.
Colorless liquid with an ammonical odor; [CAMEO] Clear colorless liquid
Appearance
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.45
TPSA
12.03
LogP / Solubility
WLOGP
1.4
MLOGP
1.22
XLogP3
1.6
Consensus LogP
1.41
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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
