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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
MOL RATIO 1 MOL RATIO (average)
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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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

Originator

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Patents

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
Record UNII
JQP1JP335I
Record Status Validated (UNII)
Record Version