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

Name
N-Methylbenzylamine Hydrochloride
EINECS
CAS No. 13426-94-3
Article Data8
CAS DataBase
Density
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 12.03000
LogP 2.59890

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

Product Name

N-Methylbenzylamine Hydrochloride

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

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