BETAINE NITRATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H12NO2.NO3
Molecular Weight	180.1592
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BETAINE NITRATE

Structure Search

SMILES

[O-][N+]([O-])=O.C[N+](C)(C)CC(O)=O

InChI

InChIKey=QJWNYSRCYOCRGE-UHFFFAOYSA-O

InChI=1S/C5H11NO2.NO3/c1-6(2,3)4-5(7)8;2-1(3)4/h4H2,1-3H3;/q;-1/p+1

HIDE SMILES / InChI

Molecular Formula	NO3
Molecular Weight	62.0049
Charge	-1
Count

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

Molecular Formula	C5H12NO2
Molecular Weight	118.1543
Charge	1
Count

Stereochemistry	RACEMIC
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 11:56:37 GMT 2023` Edited by `admin` on `Sat Dec 16 11:56:37 GMT 2023`
Record UNII	V3ZLN1NK3G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BETAINE NITRATE

Common Name

English

Betaine nitrate [WHO-DD]

Common Name

English

METHANAMINIUM, 1-CARBOXY-N,N,N-TRIMETHYL-, NITRATE (1:1)

Systematic Name

English

(CARBOXYMETHYL)TRIMETHYLAMMONIUM NITRATE

Systematic Name

English

Classification Tree Code System Code

DSLD

3149 (Number of products:14)

Created by admin on Sat Dec 16 11:56:37 GMT 2023 , Edited by admin on Sat Dec 16 11:56:37 GMT 2023

Code System Code Type Description

CAS

93778-42-8

Created by admin on Sat Dec 16 11:56:37 GMT 2023 , Edited by admin on Sat Dec 16 11:56:37 GMT 2023

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FDA UNII

V3ZLN1NK3G

Created by admin on Sat Dec 16 11:56:37 GMT 2023 , Edited by admin on Sat Dec 16 11:56:37 GMT 2023

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ECHA (EC/EINECS)

298-179-5

Created by admin on Sat Dec 16 11:56:37 GMT 2023 , Edited by admin on Sat Dec 16 11:56:37 GMT 2023

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EPA CompTox

DTXSID80239634

Created by admin on Sat Dec 16 11:56:37 GMT 2023 , Edited by admin on Sat Dec 16 11:56:37 GMT 2023

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PUBCHEM

3022334

Created by admin on Sat Dec 16 11:56:37 GMT 2023 , Edited by admin on Sat Dec 16 11:56:37 GMT 2023

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