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CAS 19522-69-1 N-Butylethylenediamine molecular structure lightbox
CAS RN: 19522-69-1

N-Butylethylenediamine

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250910 100ml In stock Inquiry
Batchno.20251208 1ml Out of stock Inquiry
Batchno.20250718 25ml In stock Inquiry
Batchno.20250501 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251027 1ml / 5ml / 25ml Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: ICTB1491
  • Purity/Analytical Methods: >95.0%(GC)
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19522-69-1 / N'-butylethane-1,2-diamine

Standard CAS: 19522-69-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19522-69-1
Multi CAS
No
Molecular Formula
C6H16N2
Molecular Weight
116.200000
Exact Mass
116.131349
SMILES
CCCCNCCN
InChI
InChI=1S/C6H16N2/c1-2-3-5-8-6-4-7/h8H,2-7H2,1H3
InChIKey
DFPGBRPWDZFIPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.83
TPSA
38.05

LogP / Solubility

WLOGP
0.33
MLOGP
0.28
XLogP3
0.1
Consensus LogP
0.24
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.29
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)
-3.19

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
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning 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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