N-Nitroso-N-Methylaniline-D5

CAT: 1299-RG-P022665-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-P022665-01Size:10 mg

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CAS Number

1821341-18-7

Synonyms

N-methyl-N- (phenyl-d5) nitrous amide

Molecular Formula

C7H3D5N2O

Molecular Weight

141.18

Target Alternative Name

Aniline

Product Name Synonym

N-methyl-N- (phenyl-d5) nitrous amide

Chemical Information

N-Nitroso-N-methylaniline-d5

CAS Number	1821341-18-7
PubChem CID	169442807
IUPAC Name	N-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)nitrous amide
Molecular Formula	C7H8N2O
Molecular Weight	141.18
XLogP	1.7
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	110

SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])N(C)N=O)[2H])[2H]

InChI

InChI=1S/C7H8N2O/c1-9(8-10)7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D,6D

InChIKey

MAXCWSIJKVASQC-VIQYUKPQSA-N

Chemical Structure

2D Structure

CAS: 1821341-18-7

CID: 169442807

Formula: C7H8N2O

MW: 141.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	141.18
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	141.095046613
Monoisotopic Mass	141.095046613
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110
Isotope Atom Count	5
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

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TRC-N529926-1MG	N-Nitroso-N-methylaniline-d5
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TRC-KIT9260-1X1ML	N-Nitroso-N-methylaniline-d5 (1.0mg/mL in Methanol)
CS-O-40721	N-nitroso-N-methylaniline-d5 200Î1⁄4g/mL in Methanol
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