2,6-DIMETHYLBENZENE-1,3,5-TRIAMINE SULFATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H13N3.H2O4S
Molecular Weight	249.287
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,6-DIMETHYLBENZENE-1,3,5-TRIAMINE SULFATE

Structure Search

SMILES

OS(O)(=O)=O.CC1=C(N)C=C(N)C(C)=C1N

InChI

InChIKey=MOVJQGOQYSIWMW-UHFFFAOYSA-N

InChI=1S/C8H13N3.H2O4S/c1-4-6(9)3-7(10)5(2)8(4)11;1-5(2,3)4/h3H,9-11H2,1-2H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

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

Molecular Formula	C8H13N3
Molecular Weight	151.2089
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 `Sat Dec 16 12:29:45 GMT 2023` Edited by `admin` on `Sat Dec 16 12:29:45 GMT 2023`
Record UNII	78CN8GJ83W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,6-DIMETHYLBENZENE-1,3,5-TRIAMINE SULFATE

Systematic Name

English

2,4-DIMETHYLBENZENE-1,3,5-TRIAMINE,SULFURIC ACID

Systematic Name

English

1,3,5-BENZENETRIAMINE, 2,6-DIMETHYL-, SULFATE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

302-890-9

Created by admin on Sat Dec 16 12:29:45 GMT 2023 , Edited by admin on Sat Dec 16 12:29:45 GMT 2023

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FDA UNII

78CN8GJ83W

Created by admin on Sat Dec 16 12:29:45 GMT 2023 , Edited by admin on Sat Dec 16 12:29:45 GMT 2023

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CAS

94135-21-4

Created by admin on Sat Dec 16 12:29:45 GMT 2023 , Edited by admin on Sat Dec 16 12:29:45 GMT 2023

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EPA CompTox

DTXSID60240748

Created by admin on Sat Dec 16 12:29:45 GMT 2023 , Edited by admin on Sat Dec 16 12:29:45 GMT 2023

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PUBCHEM

3023711

Created by admin on Sat Dec 16 12:29:45 GMT 2023 , Edited by admin on Sat Dec 16 12:29:45 GMT 2023

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Related Record Type Details


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2,4-DIMETHYLBENZENE-1,3,5-TRIAMINE

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Amount: