CAS RN: 19522-67-9
N-Isopropylethylenediamine
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.20260513 | 1ml / 5ml / 25ml / 100ml | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: ICTI0381
- Purity/Analytical Methods: >98.0%(GC)(T)
19522-67-9 / N'-propan-2-ylethane-1,2-diamine
Basic Information
CAS
19522-67-9
Multi CAS
No
Molecular Formula
C5H14N2
Molecular Weight
102.180000
Exact Mass
102.115698
SMILES
CC(C)NCCN
InChI
InChI=1S/C5H14N2/c1-5(2)7-4-3-6/h5,7H,3-4,6H2,1-2H3
InChIKey
KDRUIMNNZBMLJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.19
TPSA
38.05
LogP / Solubility
WLOGP
-0.06
MLOGP
-0.06
XLogP3
-0.3
Consensus LogP
-0.14
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
-0.36
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
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)
-3.38
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 (90.9%): 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
