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Details

Stereochemistry ACHIRAL
Molecular Formula C12H21N2.Cl
Molecular Weight 228.762
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(3-AMINOPROPYL)-N,N-DIMETHYL-BENZENEMETHANAMINIUM CHLORIDE

SMILES

[Cl-].C[N+](C)(CCCN)CC1=CC=CC=C1

InChI

InChIKey=BDEXTGBSHOQSGO-UHFFFAOYSA-M
InChI=1S/C12H21N2.ClH/c1-14(2,10-6-9-13)11-12-7-4-3-5-8-12;/h3-5,7-8H,6,9-11,13H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H21N2
Molecular Weight 193.3085
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 11:22:27 GMT 2023
Edited
by admin
on Sat Dec 16 11:22:27 GMT 2023
Record UNII
6DTX2R9T6A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(3-AMINOPROPYL)-N,N-DIMETHYL-BENZENEMETHANAMINIUM CHLORIDE
Systematic Name English
BENZENEMETHANAMINIUM, N-(3-AMINOPROPYL)-N,N-DIMETHYL-, CHLORIDE (1:1)
Systematic Name English
BENZENEMETHANAMINIUM, N-(3-AMINOPROPYL)-N,N-DIMETHYL-, CHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
85937497
Created by admin on Sat Dec 16 11:22:27 GMT 2023 , Edited by admin on Sat Dec 16 11:22:27 GMT 2023
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FDA UNII
6DTX2R9T6A
Created by admin on Sat Dec 16 11:22:27 GMT 2023 , Edited by admin on Sat Dec 16 11:22:27 GMT 2023
PRIMARY
CAS
66065-55-2
Created by admin on Sat Dec 16 11:22:27 GMT 2023 , Edited by admin on Sat Dec 16 11:22:27 GMT 2023
PRIMARY