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N-Benzyl-N,N-bis(2-chloroethyl)amine hydrochloride

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Name

N-Benzyl-N,N-bis(2-chloroethyl)amine hydrochloride

EINECS N/A
CAS No. 10429-82-0 Density N/A
PSA N/A LogP N/A
Solubility N/A Melting Point 134-136 °C
Formula C11H15Cl2N.HCl Boiling Point 242.6 °C at 760 mmHg
Molecular Weight 268.614 Flash Point 100.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Xi:Irritant;
Molecular Structure Molecular Structure of 10429-82-0 (N-BENZYL-BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE) Hazard Symbols IrritantXi
Synonyms

Benzenemethanamine,N,N-bis(2-chloroethyl)-, hydrochloride (9CI);Benzylamine, N,N-bis(2-chloroethyl)-,hydrochloride (7CI,8CI);N-Benzylbis(2-chloroethyl)amine hydrochloride;N,N-bis-(2-chloroethyl)benzylamine hydrochloride;

Article Data 16

N-Benzyl-N,N-bis(2-chloroethyl)amine hydrochloride Specification

The Benzylamine, N,N-bis(2-chloroethyl)-, hydrochloride, with the CAS registry number 10429-82-0, is also known as N,N-Bis(2-chloroethyl)benzenemethanamine hydrochloride. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C11H16Cl3N and molecular weight is 268.61. Its IUPAC name is called N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine hydrochloride. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. This chemical's classification code is Mutation data.

Physical properties of Benzylamine, N,N-bis(2-chloroethyl)-, hydrochloride: (1)ACD/LogP: 2.91; (2)ACD/LogD (pH 5.5): 2.89; (3)ACD/LogD (pH 7.4): 2.91; (4)ACD/BCF (pH 5.5): 92.36; (5)ACD/BCF (pH 7.4): 96.43; (6)ACD/KOC (pH 5.5): 877.25; (7)ACD/KOC (pH 7.4): 915.89; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 6; (10)Flash Point: 100.5 °C; (11)Enthalpy of Vaporization: 47.96 kJ/mol; (12)Boiling Point: 242.6 °C at 760 mmHg; (13)Vapour Pressure: 0.0336 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CN(CCCl)CCCl.Cl
(2)InChI: InChI=1S/C11H15Cl2N.ClH/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H
(3)InChIKey: AZRWNJFEUSHORT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 28mg/kg (28mg/kg) BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE

BLOOD: OTHER CHANGES
Cancer Vol. 2, Pg. 1055, 1949.

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