![CAS 6712-98-7 1-[Bis(2-hydroxyethyl)amino]-2-propanol molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2180-jpgcontextbwfzdgvyfhjvb3r8mjg3nzb8aw1hz2uvanblz3xomtcvadfilzg5mjg4mdc2mty1ndivqjixodauanbnfgjjnjfhnmqxztniyjljnjfiythhzgjlmdu0ogzjmmi2odu2y2y1ngy5yjqxyjqzogq2ytvizmy1mzy1zjy0ote.jpeg)
CAS RN: 6712-98-7
1-[Bis(2-hydroxyethyl)amino]-2-propanol
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250302 | 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
- Product code: ICTB2180
- Purity/Analytical Methods: >93.0%(GC)
6712-98-7 / 1-[bis(2-hydroxyethyl)amino]propan-2-ol
Basic Information
CAS
6712-98-7
Multi CAS
Yes
Molecular Formula
C7H17NO3
Molecular Weight
163.210000
Exact Mass
163.120843
InChI
InChI=1S/C7H17NO3/c1-7(11)6-8(2-4-9)3-5-10/h7,9-11H,2-6H2,1H3
InChIKey
ZFECCYLNALETDE-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
42.29
TPSA
63.93
LogP / Solubility
WLOGP
-1.35
MLOGP
-1.19
XLogP3
-1.4
Consensus LogP
-1.31
Log S (ESOL)
0.39
Class (ESOL)
Highly soluble
Log S (Ali)
0.07
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.32
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
