TRIS(HYDROXYMETHYL)NITROMETHANE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H9NO5
Molecular Weight	151.118
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRIS(HYDROXYMETHYL)NITROMETHANE

Structure Search

SMILES

OCC(CO)(CO)[N+]([O-])=O

InChI

InChIKey=OLQJQHSAWMFDJE-UHFFFAOYSA-N

InChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2

HIDE SMILES / InChI

Molecular Formula	C4H9NO5
Molecular Weight	151.118
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/22188016

Tris(hydroxymethyl)nitromethane, is as an intermediate in organic synthesis, pharmaceuticals, agrochemicals.

Approval Year

PubMed

Title	Date	PubMed
Efficient synthesis of a peculiar vicinal diamine semiochemical from Streptomyces natalensis.	2010 Aug 6	20670016
Aliphatic beta-nitroalcohols for therapeutic corneoscleral cross-linking: chemical mechanisms and higher order nitroalcohols.	2010 Feb	19797229
Formaldehyde-releasers: relationship to formaldehyde contact allergy. Part 2: Metalworking fluids and remainder.	2010 Sep	20573163

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:25:49 GMT 2023` Edited by `admin` on `Fri Dec 15 18:25:49 GMT 2023`
Record UNII	3E794G4ZRB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIS(HYDROXYMETHYL)NITROMETHANE

Systematic Name

English

TRIS HYDROXYMETHYL NITROMETHANE

Systematic Name

English

2-(HYDROXYMETHYL)-2-NITRO-1,3-PROPANEDIOL

Systematic Name

English

TRIS-HYDROXYMETHYLNITROMETHANE

Official Name

English

TRIS-HYDROXYMETHYLNITROMETHANE [INCI]

Common Name

English

TRIS(HYDROXYMETHYL)NITROMETHANE [MI]

Common Name

English

2-NITRO-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL

Systematic Name

English

NSC-17675

Code

English

TRIMETHYLOLNITROMETHANE

Systematic Name

English

1,3-PROPANEDIOL, 2-(HYDROXYMETHYL)-2-NITRO

Common Name

English

2-HYDROXYMETHYL-2-NITRO-1,3-PROPANEDIOL [HSDB]

Common Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

83902