Benzenemethanamine,N-(2-chloroethyl)-N-ethyl-2-methyl-, hydrochloride (1:1) supplier

Name
XYLAMINE HYDROCHLORIDE
EINECS
CAS No. 57913-68-5
Density
Solubility
Melting Point
Formula C₁₂H₁₉Cl₂N
Boiling Point 249.3 °C at 760 mmHg
Molecular Weight 248.19
Flash Point 104.6 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Xylamine hydrochloride;N-Chloroethyl-N-ethyl-2'-methylbenzylamine hydrochloride;
PSA 3.24000
LogP 3.85770

Benzenemethanamine,N-(2-chloroethyl)-N-ethyl-2-methyl-, hydrochloride (1:1) Specification

The Benzenemethanamine,N-(2-chloroethyl)-N-ethyl-2-methyl-, hydrochloride (1:1), with the CAS registry number 57913-68-5, is also known as Xylamine hydrochloride. This chemical's molecular formula is C₁₂H₁₉Cl₂N and molecular weight is 248.19. What's more, its systematic name is 2-chloro-N-ethyl-N-(2-methylbenzyl)ethanaminium chloride.

Physical properties of Benzenemethanamine,N-(2-chloroethyl)-N-ethyl-2-methyl-, hydrochloride (1:1) are: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 2.36; (6)ACD/BCF (pH 7.4): 101.16; (7)ACD/KOC (pH 5.5): 17.26; (8)ACD/KOC (pH 7.4): 740.36; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å²; (13)Flash Point: 104.6 °C; (14)Enthalpy of Vaporization: 48.66 kJ/mol; (15)Boiling Point: 249.3 °C at 760 mmHg; (16)Vapour Pressure: 0.023 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].ClCC[NH+](Cc1ccccc1C)CC
(2)Std. InChI: InChI=1S/C12H18ClN.ClH/c1-3-14(9-8-13)10-12-7-5-4-6-11(12)2;/h4-7H,3,8-10H2,1-2H3;1H
(3)Std. InChIKey: GAAOKTBHSXYRNH-UHFFFAOYSA-N

Product Name

XYLAMINE HYDROCHLORIDE

Benzenemethanamine,N-(2-chloroethyl)-N-ethyl-2-methyl-, hydrochloride (1:1) Specification

Related Products

Hot Products