CAS RN: 104845-82-1
O,Oμ-Diaminopropane-1,3-diol dihydrochloride
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260616 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260108 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250806 | 1g | In stock | Chengdu | Inquiry | |
| Batchno.20260426 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS104845-82-1
- Purity/Analytical Methods: >99.0%
104845-82-1 / O-(3-aminooxypropyl)hydroxylamine;dihydrochloride
O,O'-1,3-propanediylbishydroxylamine dihydrochloride | RefChem:855000 | 626-991-5
Basic Information
CAS
104845-82-1
Multi CAS
Yes
Molecular Formula
C3H12Cl2N2O2
Molecular Weight
179.040000
Exact Mass
178.027583
SMILES
C(CON)CON.Cl.Cl
InChI
InChI=1S/C3H10N2O2.2ClH/c4-6-2-1-3-7-5;;/h1-5H2;2*1H
InChIKey
BEAAFDSVECBBLQ-UHFFFAOYSA-N
Synonyms
O,O'-1,3-propanediylbishydroxylamine dihydrochloride
RefChem:855000
626-991-5
O,O'-(Propane-1,3-diyl)bis(hydroxylamine) dihydrochloride
O-[3-(AMINOOXY)PROPYL]HYDROXYLAMINE DIHYDROCHLORIDE
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
39.39
TPSA
70.5
LogP / Solubility
Consensus LogP
0.0000
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
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)
-3.81
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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
Customers Also Viewed
-
-
Isothiazolo[5,4-b]pyridin-3(2H)-one, 2-(4-methoxyphenyl)-
- CAS RN: 104857-29-6
- Product Code: starshine_CAS104857-29-6
- Purity/Analytical method: >99.0%
-
2-Benzofurancarboxylic acid, 5-nitro-, methyl ester
- CAS RN: 104862-11-5
- Product Code: SSC-006575
-
2-Thiazolemethanol, alpha-methyl-, (alphaS)- (9CI)
- CAS RN: 104863-49-2
- Product Code: SSC-006576
-
-
![CAS 104857-29-6 Isothiazolo[5,4-b]pyridin-3(2H)-one, 2-(4-methoxyphenyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/104857-29-6.gif)
