Oseltamivir Impurity 167

CAT: 1299-RM-O192167-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O192167-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

16338-97-9

Synonyms

N, N-diallylnitrous amide

Molecular Formula

C6H10N2O

Molecular Weight

126.16

Target Alternative Name

Oseltamivir

Product Name Synonym

N, N-diallylnitrous amide

Chemical Information

Diallylnitrosamine

CAS Number	16338-97-9
PubChem CID	27821
IUPAC Name	N,N-bis(prop-2-enyl)nitrous amide
Molecular Formula	C6H10N2O
Molecular Weight	126.16
XLogP	1.5
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	102

SMILES

C=CCN(CC=C)N=O

InChI

InChI=1S/C6H10N2O/c1-3-5-8(7-9)6-4-2/h3-4H,1-2,5-6H2

InChIKey

GRYFJBRXMFVEIL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16338-97-9

CID: 27821

Formula: C6H10N2O

MW: 126.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.16
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	126.079312947
Monoisotopic Mass	126.079312947
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	102
Isotope Atom Count	0
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