CYCLOHEXAMETHYLENIMINE 3,5-DINITROBENZOATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H4N2O6.C6H13N
Molecular Weight	311.2906
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CYCLOHEXAMETHYLENIMINE 3,5-DINITROBENZOATE

Structure Search

SMILES

C1CCCNCC1.OC(=O)C2=CC(=CC(=C2)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=QSDQBPFMAVYUTI-UHFFFAOYSA-N

InChI=1S/C7H4N2O6.C6H13N/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-2-4-6-7-5-3-1/h1-3H,(H,10,11);7H,1-6H2

HIDE SMILES / InChI

Molecular Formula	C6H13N
Molecular Weight	99.1741
Charge	0
Count

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

Molecular Formula	C7H4N2O6
Molecular Weight	212.1165
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:01:02 GMT 2023` Edited by `admin` on `Sat Dec 16 08:01:02 GMT 2023`
Record UNII	969V4N370K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYCLOHEXAMETHYLENIMINE 3,5-DINITROBENZOATE

Common Name

English

1H-AZEPINE, HEXAHYDRO-, 3,5-DINITROBENZOATE

Systematic Name

English

BENZOIC ACID, 3,5-DINITRO-, COMPD. WITH HEXAHYDRO-1H-AZEPINE (1:1)

Systematic Name

English

HEXAMETHYLENIMINE, 3,5-DINITROBENZOATE

Common Name

English

BENZOIC ACID, 3,5-DINITRO-, COMPD. WITH HEXAMETHYLENIMINE

Systematic Name

English

HEXAMETHYLENIMINE 3,5-DINITROBENZOATE

Common Name

English

Code System Code Type Description

PUBCHEM

21407069

Created by admin on Sat Dec 16 08:01:02 GMT 2023 , Edited by admin on Sat Dec 16 08:01:02 GMT 2023

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FDA UNII

969V4N370K

Created by admin on Sat Dec 16 08:01:02 GMT 2023 , Edited by admin on Sat Dec 16 08:01:02 GMT 2023

PRIMARY

CAS

7270-75-9

Created by admin on Sat Dec 16 08:01:02 GMT 2023 , Edited by admin on Sat Dec 16 08:01:02 GMT 2023

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