N-Nitrosodimethylamine-d6

CAT: 1506-KL-06-00149-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1506-KL-06-00149-01Size:25 mg

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CAS Number

17829-05-9

Specifications

Stable Isotopes

Chemical Information

Methan-d3-amine, N-(methyl-d3)-N-nitroso-

CAS Number	17829-05-9
PubChem CID	146418
IUPAC Name	N,N-bis(trideuteriomethyl)nitrous amide
Molecular Formula	C2H6N2O
Molecular Weight	80.12
XLogP	-0.6
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	34

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

Chemical Structure

2D Structure

CAS: 17829-05-9

CID: 146418

Formula: C2H6N2O

MW: 80.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	80.12
XLogP3	-0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	80.085673295
Monoisotopic Mass	80.085673295
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	34.6
Isotope Atom Count	6
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
KL-06-00146-01	N-Nitrosodimethylamine
KL-06-00147	N-Nitrosodiethylamine
KL-05-00064-01	Dimethylamine D6 Hydrochloride
KL-06-00151-01	N-Nitrosodi-n-butylamine
KL-06-00154	N-Nitroso-N-methylphenylamine
KL-06-00152-01	N-Nitrosopyrrolidine
KL-02-01662	N-Nitrosomorpholine
KL-06-00286-01	N-Nitrosodiphenylamine
KL-06-00258	N-Nitrosodiisopropylamine
KL-06-00257-01	N-Nitrosoethylisopropylamine

Catalog	Name
AR-N01010-01	N-Nitrosodimethylamine-d6
CS-T-93280	N-Nitrosodimethylamine-13C2, d6
CS-O-34890	N-Nitrosodimethylamine-d6 1mg/ml in Methanol
CS-O-38852	N-Nitrosodimethylamine-d6 (1000 ppm in Methanol)
S-2815	N-Nitrosodimethylamine
TRC-KIT9101-1X5ML	N-Nitrosodimethylamine-d6 (10 mg/mL in Ethanol)
TRC-KIT9102-1X1ML	N-Nitrosodimethylamine-d6 (1.0 mg/mL in Ethanol)
TRC-KIT9103-1X1ML	N-Nitrosodimethylamine-d6 (1.0 mg/mL in Methanol)
CS-T-59621	N-Nitrosodimethylamine (NDMA)
018347	N-Nitrosodimethylamine discontinued