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Details

Stereochemistry ACHIRAL
Molecular Formula C8H11N.ClH
Molecular Weight 157.641
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-METHYLBENZYLAMINE HYDROCHLORIDE

SMILES

Cl.CNCC1=CC=CC=C1

InChI

InChIKey=CBSOFSBFHDQRLV-UHFFFAOYSA-N
InChI=1S/C8H11N.ClH/c1-9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H

HIDE SMILES / InChI
Molecular Formula C8H11N
Molecular Weight 121.1796
Charge 0
Count
Stereochemistry ACHIRAL
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

Description
Curator's Comment: The description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/26841702 | https://www.ncbi.nlm.nih.gov/pubmed/26399884 | https://www.ncbi.nlm.nih.gov/pubmed/6433022

N-Methylbenzylamine is a cancerogenic secondary amine used as an intermediate for pharmaceuticals especially for antidepressants such as Fluoxetine.

Originator

Approval Year

Unknown
139594
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
[Further experiments on the induction of tumors by oral administration of low dosages of N-methylbenzylamine and sodium nitrite].
1971
Patents

Patents

CN107137292
2

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
M. tuberculosis H 37 Ra, obtained from Max-von-Pettenkofer-Institut fur Hygiene und Medizinische Mikrobiologie, University of Munich, were cultured in these media. The test tubes with Lowenstein-Jensen medium were inoculated with 10 mkL of a suspension of M. tuberculosis H 37 Ra in physiological saline and incubated for 21 days at 37 C. MIC is defined as lowest concentration of compound used to prevent growth of M. tuberculosis H 37 Ra.
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:59:57 GMT 2023
Edited
by admin
on Fri Dec 15 17:59:57 GMT 2023
Record UNII
JQP1JP335I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-METHYLBENZYLAMINE HYDROCHLORIDE
Systematic Name English
BENZENEMETHANAMINE, N-METHYL-, HYDROCHLORIDE (1:1)
Systematic Name English
N-BENZYL-N-METHYLAMMONIUM CHLORIDE
Systematic Name English
BENZENEMETHANAMINE, N-METHYL-, HYDROCHLORIDE
Systematic Name English
BENZYLAMINE, N-METHYL-, HYDROCHLORIDE
Systematic Name English
N-BENZYLMETHYLAMINE HYDROCHLORIDE
Systematic Name English
BENZYLMETHYLAMINE HYDROCHLORIDE
Systematic Name English
METHYLBENZYLAMINE HYDROCHLORIDE
Systematic Name English
N-BENZYL-N-METHYLAMINE HYDROCHLORIDE
Systematic Name English
BENZYL(METHYL)AMMONIUM CHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
25979
Created by admin on Fri Dec 15 17:59:57 GMT 2023 , Edited by admin on Fri Dec 15 17:59:57 GMT 2023
PRIMARY
CAS
13426-94-3
Created by admin on Fri Dec 15 17:59:57 GMT 2023 , Edited by admin on Fri Dec 15 17:59:57 GMT 2023
PRIMARY
FDA UNII
JQP1JP335I
Created by admin on Fri Dec 15 17:59:57 GMT 2023 , Edited by admin on Fri Dec 15 17:59:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID1046007
Created by admin on Fri Dec 15 17:59:57 GMT 2023 , Edited by admin on Fri Dec 15 17:59:57 GMT 2023
PRIMARY
NIH
NCATS
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