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CAS 19961-27-4 N-Ethylisopropylamine molecular structure lightbox
CAS RN: 19961-27-4

N-Ethylisopropylamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250927 1ml / 5ml / 25ml / 100ml / 500ml Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: ICTE0343
  • Purity/Analytical Methods: >97.0%(GC)(T)
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19961-27-4 / N-ethylpropan-2-amine

Standard CAS: 19961-27-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19961-27-4
Multi CAS
No
Molecular Formula
C5H13N
Molecular Weight
87.160000
Exact Mass
87.104799
SMILES
CCNC(C)C
InChI
InChI=1S/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3
InChIKey
RIVIDPPYRINTTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
28.81
TPSA
12.03

LogP / Solubility

WLOGP
1
MLOGP
0.87
XLogP3
0.9
Consensus LogP
0.92
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.3
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)
-2.54

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
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501

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