Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Benzenemethanamine,N-methyl-, hydrochloride (1:1)

Related Products

Hot Products

Name

Benzenemethanamine,N-methyl-, hydrochloride (1:1)

EINECS N/A
CAS No. 13426-94-3 Density N/A
PSA 12.03000 LogP 2.59890
Solubility Water Solubility (%): Soluble Melting Point 173-174ºC
Formula C8H12ClN Boiling Point 180.5 °C at 760 mmHg
Molecular Weight 157.643 Flash Point 77.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13426-94-3 (N-Methylbenzylamine Hydrochloride) Hazard Symbols N/A
Synonyms

Benzenemethanamine,N-methyl-, hydrochloride (9CI);Benzylamine, N-methyl-, hydrochloride (8CI);Benzyl(methyl)ammonium chloride;Benzylmethylamine hydrochloride;Methylbenzylamine hydrochloride;N-Benzyl-N-methylamine hydrochloride;N-Benzyl-N-methylammonium chloride;N-Benzylmethylamine hydrochloride;N-Methylbenzylamine hydrochloride;

Article Data 8

Benzenemethanamine,N-methyl-, hydrochloride (1:1) Specification

The CAS register number of Benzenemethanamine,N-methyl-, hydrochloride (1:1) is 13426-94-3. It also can be called as Methylbenzylamine hydrochloride and the IUPAC name about this chemical is benzyl(methyl)azanium chloride. The molecular formula about this chemical is C8H12ClN and the molecular weight is 157.6406.

Physical properties about Benzenemethanamine,N-methyl-, hydrochloride (1:1) are: (1)ACD/LogP: 1.52; (2)ACD/LogD (pH 5.5): -1.55; (3)ACD/LogD (pH 7.4): -0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Flash Point: 77.8 °C; (12)Enthalpy of Vaporization: 41.68 kJ/mol; (13)Boiling Point: 180.5 °C at 760 mmHg; (14)Vapour Pressure: 0.893 mmHg at 25 °C.

Uses of Benzenemethanamine,N-methyl-, hydrochloride (1:1): it can be used to produce N-benzyl-N-methyl-4-aminobut-3-ene-2-one with 3-oxo-butyraldehyde; sodium enolate. This reaction will need reagent of CH2Cl2 and the reaction time is 2 hours with reaction temperature of 20 °C. The yield is about 77%.

Benzenemethanamine,N-methyl-, hydrochloride (1:1) can be used to produce N-benzyl-N-methyl-4-aminobut-3-ene-2-one with 3-oxo-butyraldehyde; sodium enolate.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].c1ccccc1C[NH2+]C
(2)InChI: InChI=1/C8H11N.ClH/c1-9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H
(3)InChIKey: CBSOFSBFHDQRLV-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H11N.ClH/c1-9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H
(5)Std. InChIKey: CBSOFSBFHDQRLV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   National Technical Information Service. Vol. AD277-689

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 13426-94-3