Isopentyl nitrite

CAT: 0024-sc-215197BSize: 500 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-215197BSize:500 mL

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CAS Number

110-46-3

Chemical Information

Isoamyl Nitrite

Isoamyl nitrite is a nitrite ester having isopentyl as the alkyl group. It has a role as a vasodilator agent and an antihypertensive agent. It is functionally related to an isoamylol.

CAS Number	110-46-3
PubChem CID	8053
IUPAC Name	3-methylbutyl nitrite
Molecular Formula	C5H11NO2
Molecular Weight	117.15
XLogP	1.7
Topological Polar Surface Area	38.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	63

SMILES

CC(C)CCON=O

InChI

InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3

InChIKey

OWFXIOWLTKNBAP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 110-46-3

CID: 8053

Formula: C5H11NO2

MW: 117.15

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	117.15
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	117.078978594
Monoisotopic Mass	117.078978594
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	63.4
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

Related Products

Catalog	Name
sc-488482	Isopentyl Mesylate
sc-250190A	Isopentyl acetate
sc-250190	Isopentyl acetate
sc-279231	Isopentyl dodecanoate
sc-235410	Isopentyl formate
sc-269268	Isopentyl isobutyrate
sc-269267	Isopentyl butyrate
sc-479286A	Phenylacetic acid isopentyl ester
sc-235398A	Isobutyl nitrite
sc-203393	Sodium nitrite

Alternative Products

Catalog	Name
02901-82	Isopentyl Nitrite
I08420-01	Isopentyl nitrite 95%
OR1013600-01	Isopentyl Cinnamate
TRC-I821885-5G	Isopentyl Mesylate
I08030-01	Isopentyl benzoate
I08410	Isopentyl nitrate
B7890-100	Isopentyl acetate
OR8220	Isopentyl iodide
HY-W014206-01	Isopentyl octanoate
OR1013601	Isopentyl Valerate

Isopentyl nitrite

Chemical Information

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