2-ETHYL-2-NITRO-1,3-PROPANEDIOL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H11NO4
Molecular Weight	149.1451
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-ETHYL-2-NITRO-1,3-PROPANEDIOL

Structure Search

SMILES

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

InChI

InChIKey=YADISKICBOYXFS-UHFFFAOYSA-N

InChI=1S/C5H11NO4/c1-2-5(3-7,4-8)6(9)10/h7-8H,2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C5H11NO4
Molecular Weight	149.1451
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:58:18 UTC 2023` Edited by `admin` on `Fri Dec 15 17:58:18 UTC 2023`
Record UNII	5243OT5I3L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-ETHYL-2-NITRO-1,3-PROPANEDIOL

Systematic Name

English

2-ETHYL-2-NITROPROPANEDIOL

Systematic Name

English

NSC-2024

Code

English

2-NITRO-2-ETHYL-1,3-PROPANEDIOL

Systematic Name

English

ETHYL-2-NITRO-1,3-PROPANEDIOL, 2-

Systematic Name

English

1,3-PROPANEDIOL, 2-ETHYL-2-NITRO-

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

67802

Created by admin on Fri Dec 15 17:58:18 UTC 2023 , Edited by admin on Fri Dec 15 17:58:18 UTC 2023

Code System Code Type Description

ECHA (EC/EINECS)

209-893-3

Created by admin on Fri Dec 15 17:58:18 UTC 2023 , Edited by admin on Fri Dec 15 17:58:18 UTC 2023

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PUBCHEM

11696

Created by admin on Fri Dec 15 17:58:18 UTC 2023 , Edited by admin on Fri Dec 15 17:58:18 UTC 2023

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CAS

597-09-1

Created by admin on Fri Dec 15 17:58:18 UTC 2023 , Edited by admin on Fri Dec 15 17:58:18 UTC 2023

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FDA UNII

5243OT5I3L

Created by admin on Fri Dec 15 17:58:18 UTC 2023 , Edited by admin on Fri Dec 15 17:58:18 UTC 2023

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EPA CompTox

DTXSID7041417

Created by admin on Fri Dec 15 17:58:18 UTC 2023 , Edited by admin on Fri Dec 15 17:58:18 UTC 2023

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NSC

2024

Created by admin on Fri Dec 15 17:58:18 UTC 2023 , Edited by admin on Fri Dec 15 17:58:18 UTC 2023

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