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CAS 17829-05-9 N-NITROSODIMETHYL-D6-AMINE molecular structure lightbox
CAS RN: 17829-05-9

N-NITROSODIMETHYL-D6-AMINE

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3 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250426 1ml In stock Shanghai, Shandong, Chongqing Inquiry
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Batchno.20260701 1ml In stock Shanghai, Hebei Inquiry
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Batchno.20250527 10mg In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS17829-05-9
  • Purity/Analytical Methods: >99.0%
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17829-05-9 / N,N-bis(trideuteriomethyl)nitrous amide

Standard CAS: 17829-05-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17829-05-9
Multi CAS
No
Molecular Formula
C2H6N2O
Molecular Weight
80.120000
Exact Mass
80.085673
SMILES
[2H]C([2H])([2H])N(C([2H])([2H])[2H])N=O
InChI
InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3/i1D3,2D3
InChIKey
UMFJAHHVKNCGLG-WFGJKAKNSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
19.48
TPSA
32.67

LogP / Solubility

WLOGP
0.23
MLOGP
0.19
XLogP3
-0.6
Consensus LogP
-0.06
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
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)
-3.01

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)
Acute Toxic Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (90.5%): Toxic if swallowed [Danger Acute toxicity, oral] H330 (92.9%): Fatal if inhaled [Danger Acute toxicity, inhalation] H350 (92.9%): May cause cancer [Danger Carcinogenicity] H372 (92.9%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] H411 (92.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P264, P270, P271, P273, P280, P284, P301+P316, P304+P340, P316, P318, P319, P320, P321, P330, P391, P403+P233, P405, and P501

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