[email protected]
CAS 1387445-54-6 2-ETHYLBUTYLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1387445-54-6

2-ETHYLBUTYLAMINE HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1387445-54-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1387445-54-6 / 2-ethylbutan-1-amine;hydrochloride

Standard CAS: 1387445-54-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1387445-54-6
Multi CAS
No
Molecular Formula
C6H16ClN
Molecular Weight
137.650000
Exact Mass
137.097127
SMILES
CCC(CC)CN.Cl
InChI
InChI=1S/C6H15N.ClH/c1-3-6(4-2)5-7;/h6H,3-5,7H2,1-2H3;1H
InChIKey
BRACJAQBWJXEIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.37
TPSA
26.02

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately 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)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us