1,1,1-TRINITROPROPANE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C3H5N3O6
Molecular Weight	179.0883
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1,1-TRINITROPROPANE

Structure Search

SMILES

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

InChI

InChIKey=WFNMEOVAYOYUJO-UHFFFAOYSA-N

InChI=1S/C3H5N3O6/c1-2-3(4(7)8,5(9)10)6(11)12/h2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C3H5N3O6
Molecular Weight	179.0883
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 `Wed Apr 02 10:25:46 GMT 2025` Edited by `admin` on `Wed Apr 02 10:25:46 GMT 2025`
Record UNII	E9KB4R546S
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1,1,1-TRINITROPROPANE

Systematic Name

English

PROPANE, 1,1,1-TRINITRO-

Preferred Name

English

NSC-16154

Code

English

1,1,1-TRINITRO-PROPANE

Common Name

English

Code System Code Type Description

NSC

16154

Created by admin on Wed Apr 02 10:25:46 GMT 2025 , Edited by admin on Wed Apr 02 10:25:46 GMT 2025

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FDA UNII

E9KB4R546S

Created by admin on Wed Apr 02 10:25:46 GMT 2025 , Edited by admin on Wed Apr 02 10:25:46 GMT 2025

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EPA CompTox

DTXSID60202745

Created by admin on Wed Apr 02 10:25:46 GMT 2025 , Edited by admin on Wed Apr 02 10:25:46 GMT 2025

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CAS

5437-63-8

Created by admin on Wed Apr 02 10:25:46 GMT 2025 , Edited by admin on Wed Apr 02 10:25:46 GMT 2025

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PUBCHEM

95077

Created by admin on Wed Apr 02 10:25:46 GMT 2025 , Edited by admin on Wed Apr 02 10:25:46 GMT 2025

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