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CAS No.: | 10429-82-0 |
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Name: | N-BENZYL-BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C11H15Cl2N.HCl |
Molecular Weight: | 268.614 |
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; |
Melting Point: | 134-136 °C |
Boiling Point: | 242.6 °C at 760 mmHg |
Flash Point: | 100.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
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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. |