PAPA NONOate

CAT: 0127-BUP22026Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP22026Size:2 mg

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CAS Number

146672-58-4

MDL Number

MFCD00801020

Purity

=98%

Smiles

O=NN(O)N(CCC)CCCN

Chemical Information

PAPA NONOate

PAPA NONOate is an alkylamine.

CAS Number	146672-58-4
PubChem CID	135503978
IUPAC Name	(Z)-[3-aminopropyl(propyl)amino]-hydroxyimino-oxidoazanium
Molecular Formula	C6H16N4O2
Molecular Weight	176.22
XLogP	0.8
Topological Polar Surface Area	90.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	12
Formal Charge	0
Complexity	140

SMILES

CCCN(CCCN)/[N+](=N/O)/[O-]

InChI

InChI=1S/C6H16N4O2/c1-2-5-9(6-3-4-7)10(12)8-11/h11H,2-7H2,1H3/b10-8-

InChIKey

QODRTFHTYGHQMT-NTMALXAHSA-N

Chemical Structure

2D Structure

CAS: 146672-58-4

CID: 135503978

Formula: C6H16N4O2

MW: 176.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.22
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	176.12732577
Monoisotopic Mass	176.12732577
Topological Polar Surface Area	90.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	140
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP22024	MAHMA NONOate
BUP21373-01	DETA NONOate
BUP21400-01	Diethylamine NONOate diethylammonium salt
BUP19664	Ethyl nonanoate
OR1006001-01	Sodium nonanoate
OR1013870-01	Methyl Nonanoate
OR1033721-01	Chloromethyl nonanoate
OR1013252-01	Ethyl Nonanoate
BIM2046-01	4-Methylumbelliferyl nonanoate
BUP11223-01	2-Ethylhexyl nonanoate