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Details

Stereochemistry ACHIRAL
Molecular Formula C5H11NO2.H2O
Molecular Weight 135.1616
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETAINE HYDRATE

SMILES

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

InChI

InChIKey=NJZRLXNBGZBREL-UHFFFAOYSA-N
InChI=1S/C5H11NO2.H2O/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H2

HIDE SMILES / InChI

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

Molecular Formula HO
Molecular Weight 17.0073
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 Fri Dec 15 15:00:50 UTC 2023
Edited
by admin
on Fri Dec 15 15:00:50 UTC 2023
Record UNII
TPU0ITR2BR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETAINE HYDRATE
Common Name English
(CARBOXYMETHYL)TRIMETHYLAMMONIUM HYDROXIDE
Systematic Name English
BETAINE MONOHYDRATE [MI]
Common Name English
BETAINE MONOHYDRATE
MI   WHO-DD  
Common Name English
TRIMETHYLGLYCINE HYDROXIDE
Systematic Name English
Betaine monohydrate [WHO-DD]
Common Name English
Code System Code Type Description
CAS
590-47-6
Created by admin on Fri Dec 15 15:00:50 UTC 2023 , Edited by admin on Fri Dec 15 15:00:50 UTC 2023
PRIMARY
MERCK INDEX
m2451
Created by admin on Fri Dec 15 15:00:50 UTC 2023 , Edited by admin on Fri Dec 15 15:00:50 UTC 2023
PRIMARY Merck Index
PUBCHEM
83815
Created by admin on Fri Dec 15 15:00:50 UTC 2023 , Edited by admin on Fri Dec 15 15:00:50 UTC 2023
PRIMARY
FDA UNII
TPU0ITR2BR
Created by admin on Fri Dec 15 15:00:50 UTC 2023 , Edited by admin on Fri Dec 15 15:00:50 UTC 2023
PRIMARY
EVMPD
SUB13060MIG
Created by admin on Fri Dec 15 15:00:50 UTC 2023 , Edited by admin on Fri Dec 15 15:00:50 UTC 2023
PRIMARY
EPA CompTox
DTXSID7049421
Created by admin on Fri Dec 15 15:00:50 UTC 2023 , Edited by admin on Fri Dec 15 15:00:50 UTC 2023
PRIMARY
SMS_ID
100000077392
Created by admin on Fri Dec 15 15:00:50 UTC 2023 , Edited by admin on Fri Dec 15 15:00:50 UTC 2023
PRIMARY
ECHA (EC/EINECS)
209-684-7
Created by admin on Fri Dec 15 15:00:50 UTC 2023 , Edited by admin on Fri Dec 15 15:00:50 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE