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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H16ClN
Molecular Weight 245.747
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(3-Chloroallyl)-N-methyl-N-(naphthalene-1-yl-methyl)-amine, (E)-

SMILES

CN(C\C=C\Cl)CC1=CC=CC2=CC=CC=C12

InChI

InChIKey=IPIOOPDWWWBYPQ-BJMVGYQFSA-N
InChI=1S/C15H16ClN/c1-17(11-5-10-16)12-14-8-4-7-13-6-2-3-9-15(13)14/h2-10H,11-12H2,1H3/b10-5+

HIDE SMILES / InChI

Molecular Formula C15H16ClN
Molecular Weight 245.747
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:07:33 GMT 2023
Edited
by admin
on Sat Dec 16 20:07:33 GMT 2023
Record UNII
QD8YFY4YWK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(3-Chloroallyl)-N-methyl-N-(naphthalene-1-yl-methyl)-amine, (E)-
Systematic Name English
(E)-N-(3-Chloroallyl)-N-methyl-N-(naphthalene-1-yl-methyl)-amine
Systematic Name English
1-Naphthalenemethanamine, N-(3-chloro-2-propenyl)-N-methyl-, (E)-
Systematic Name English
1-Naphthalenemethanamine, N-[(2E)-3-chloro-2-propenyl]-N-methyl-
Systematic Name English
N-[(2E)-3-Chloro-2-propen-1-yl]-N-methyl-1-naphthalenemethanamine
Systematic Name English
Code System Code Type Description
PUBCHEM
9834733
Created by admin on Sat Dec 16 20:07:33 GMT 2023 , Edited by admin on Sat Dec 16 20:07:33 GMT 2023
PRIMARY
CAS
134865-58-0
Created by admin on Sat Dec 16 20:07:33 GMT 2023 , Edited by admin on Sat Dec 16 20:07:33 GMT 2023
PRIMARY
FDA UNII
QD8YFY4YWK
Created by admin on Sat Dec 16 20:07:33 GMT 2023 , Edited by admin on Sat Dec 16 20:07:33 GMT 2023
PRIMARY