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Details

Stereochemistry ACHIRAL
Molecular Formula C12H20NO2
Molecular Weight 210.2927
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of Benzyl-bis(2-hydroxyethyl)-methylazanium

SMILES

C[N+](CCO)(CCO)CC1=CC=CC=C1

InChI

InChIKey=TYORFRRVUWSPEW-UHFFFAOYSA-N
InChI=1S/C12H20NO2/c1-13(7-9-14,8-10-15)11-12-5-3-2-4-6-12/h2-6,14-15H,7-11H2,1H3/q+1

HIDE SMILES / InChI
Molecular Formula C12H20NO2
Molecular Weight 210.2927
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 20:19:03 GMT 2023
Edited
by admin
on Sat Dec 16 20:19:03 GMT 2023
Record UNII
S7XD86LKG8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzyl-bis(2-hydroxyethyl)-methylazanium
Systematic Name English
N,N-Bis(2-hydroxyethyl)-N-methylbenzenemethanaminium
Systematic Name English
Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-
Systematic Name English
NSC-61682
Code English
Code System Code Type Description
FDA UNII
S7XD86LKG8
Created by admin on Sat Dec 16 20:19:03 GMT 2023 , Edited by admin on Sat Dec 16 20:19:03 GMT 2023
PRIMARY
PUBCHEM
118527
Created by admin on Sat Dec 16 20:19:03 GMT 2023 , Edited by admin on Sat Dec 16 20:19:03 GMT 2023
PRIMARY
CAS
148981-13-9
Created by admin on Sat Dec 16 20:19:03 GMT 2023 , Edited by admin on Sat Dec 16 20:19:03 GMT 2023
PRIMARY
Related Record Type Details
Structure of Benzyl-bis(2-hydroxyethyl)-methylazanium
IONIC MOIETY
Structure of Benzyl-bis(2-hydroxyethyl)-methylazanium,chloride
ACTIVE CONSTITUENT ALWAYS PRESENT -> PARENT
Structure of Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, hydroxide
SALT/SOLVATE -> PARENT
Structure of Benzyl-bis(2-hydroxyethyl)-methylazanium,chloride
SALT/SOLVATE -> PARENT
NIH
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