Diammonium dihydrogen ((heptylimino)bis(methylene))bisphosphonate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H21NO6P2.2H4N
Molecular Weight	337.2906
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Diammonium dihydrogen ((heptylimino)bis(methylene))bisphosphonate

Structure Search

SMILES

[NH4+].[NH4+].CCCCCCCN(CP(O)(O)=O)CP([O-])([O-])=O

InChI

InChIKey=GCKPSOJHDQNKOM-UHFFFAOYSA-N

InChI=1S/C9H23NO6P2.2H3N/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);2*1H3

HIDE SMILES / InChI

Molecular Formula	C9H21NO6P2
Molecular Weight	301.2137
Charge	-2
Count

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

Molecular Formula	H4N
Molecular Weight	18.0385
Charge	1
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 `Tue Apr 01 18:51:32 GMT 2025` Edited by `admin` on `Tue Apr 01 18:51:32 GMT 2025`
Record UNII	Q5J2TB3GGJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Diammonium dihydrogen ((heptylimino)bis(methylene))bisphosphonate

Systematic Name

English

Phosphonic acid, [(heptylimino)bis(methylene)]bis-, diammonium salt

Preferred Name

English

Code System Code Type Description

CAS

94107-71-8

Created by admin on Tue Apr 01 18:51:32 GMT 2025 , Edited by admin on Tue Apr 01 18:51:32 GMT 2025

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EPA CompTox

DTXSID00240545

Created by admin on Tue Apr 01 18:51:32 GMT 2025 , Edited by admin on Tue Apr 01 18:51:32 GMT 2025

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PUBCHEM

44147090

Created by admin on Tue Apr 01 18:51:32 GMT 2025 , Edited by admin on Tue Apr 01 18:51:32 GMT 2025

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FDA UNII

Q5J2TB3GGJ

Created by admin on Tue Apr 01 18:51:32 GMT 2025 , Edited by admin on Tue Apr 01 18:51:32 GMT 2025

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ECHA (EC/EINECS)

302-306-2

Created by admin on Tue Apr 01 18:51:32 GMT 2025 , Edited by admin on Tue Apr 01 18:51:32 GMT 2025

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Related Record Type Details


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((Heptylimino)bis(methylene))bisphosphonic acid

PARENT -> SALT/SOLVATE

Amount: