U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H27N2.Cl
Molecular Weight 234.809
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N,N-TRIMETHYL-6-(2-PROPENYLAMINO)-1-HEXANAMINIUM, CHLORIDE

SMILES

[Cl-].C[N+](C)(C)CCCCCCNCC=C

InChI

InChIKey=RISCULYDRMPQKP-UHFFFAOYSA-M
InChI=1S/C12H27N2.ClH/c1-5-10-13-11-8-6-7-9-12-14(2,3)4;/h5,13H,1,6-12H2,2-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C12H27N2
Molecular Weight 199.3562
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:03:18 GMT 2023
Edited
by admin
on Sat Dec 16 09:03:18 GMT 2023
Record UNII
BF32Q3K9XE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N,N-TRIMETHYL-6-(2-PROPENYLAMINO)-1-HEXANAMINIUM, CHLORIDE
Systematic Name English
1-HEXANAMINIUM, N,N,N-TRIMETHYL-6-(2-PROPEN-1-YLAMINO)-, CHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID001026102
Created by admin on Sat Dec 16 09:03:18 GMT 2023 , Edited by admin on Sat Dec 16 09:03:18 GMT 2023
PRIMARY
PUBCHEM
23511489
Created by admin on Sat Dec 16 09:03:18 GMT 2023 , Edited by admin on Sat Dec 16 09:03:18 GMT 2023
PRIMARY
FDA UNII
BF32Q3K9XE
Created by admin on Sat Dec 16 09:03:18 GMT 2023 , Edited by admin on Sat Dec 16 09:03:18 GMT 2023
PRIMARY
CAS
182815-42-5
Created by admin on Sat Dec 16 09:03:18 GMT 2023 , Edited by admin on Sat Dec 16 09:03:18 GMT 2023
PRIMARY