CAS RN: 1161070-49-0
N,N-Di(Methyl-d3)Methan-d3-aMine N-Oxide
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250718 | 5mg / 25mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1161070-49-0
- Purity/Analytical Methods: >99.0%
1161070-49-0 / 1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methanamine oxide
DTXSID90858537 | N,N-Bis((~2~H_3_)methyl)(~2~H_3_)methanamine N-oxide | N,N-Bis[(~2~H_3_)methyl](~2~H_3_)methanamine N-oxide
Basic Information
CAS
1161070-49-0
Multi CAS
Yes
Molecular Formula
C3H9NO
Molecular Weight
84.160000
Exact Mass
84.124905
SMILES
[2H]C([2H])([2H])[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])[O-]
InChI
InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3/i1D3,2D3,3D3
InChIKey
UYPYRKYUKCHHIB-GQALSZNTSA-N
Synonyms
DTXSID90858537
N,N-Bis((~2~H_3_)methyl)(~2~H_3_)methanamine N-oxide
N,N-Bis[(~2~H_3_)methyl](~2~H_3_)methanamine N-oxide
RefChem:1090370
DTXCID60809278
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
21.4
TPSA
23.06
LogP / Solubility
WLOGP
0.19
MLOGP
0.15
XLogP3
-0.3
Consensus LogP
0.01
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
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)
-3.04
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
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]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 1161404-71-2 N-[(1R)-2′-amino-3,3′-dibromo-4,4′,6,6′-tetrakis(trifluoromethyl)[1,1′-biphenyl]-2-yl]-P,P-diphenyl-Phosphinous amide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1161404-71-2.gif)
