CAS RN: 1173019-53-8
N-Nitrosobis(2-hydroxyethyl)-d8-aMine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260127 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1173019-53-8
- Purity/Analytical Methods: >99.0%
1173019-53-8 / N,N-bis(1,1,2,2-tetradeuterio-2-hydroxyethyl)nitrous amide
Nitrosobis(2-hydroxyethyl)amine-d8 | N-Nitrosobis(2-hydroxyethyl)-d8-amine | N-Nitrosodiethanolamine-d8
Basic Information
CAS
1173019-53-8
Multi CAS
Yes
Molecular Formula
C4H10N2O3
Molecular Weight
142.180000
Exact Mass
142.119356
SMILES
[2H]C([2H])(C([2H])([2H])O)N(C([2H])([2H])C([2H])([2H])O)N=O
InChI
InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2/i1D2,2D2,3D2,4D2
InChIKey
YFCDLVPYFMHRQZ-SVYQBANQSA-N
Synonyms
Nitrosobis(2-hydroxyethyl)amine-d8
N-Nitrosobis(2-hydroxyethyl)-d8-amine
N-Nitrosodiethanolamine-d8
N,N-bis(1,1,2,2-tetradeuterio-2-hydroxyethyl)nitrous amide
Diethanolnitrosamine-d8
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
31.54
TPSA
73.13
LogP / Solubility
WLOGP
-1.05
MLOGP
-0.93
XLogP3
-1.5
Consensus LogP
-1.16
Log S (ESOL)
0.32
Class (ESOL)
Highly soluble
Log S (Ali)
0.1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.26
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)
-4.28
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
Health Hazard
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H350 (100%): May cause cancer [Danger Carcinogenicity]
Precautionary Statement Codes
P203, P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P318, P370+P378, P403+P235, P405, and P501
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