N-Benzylbis(2-chloroethyl)amine hydrochloride

Name: N-Benzylbis(2-chloroethyl)amine hydrochloride
Brand: ChemScene
Availability: InStock
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CAS No. 10429-82-0
Cat. No. CS-M1267
Purity≥96%
MDL No.MFCD00185654

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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N-Benzylbis(2-chloroethyl)amine hydrochloride|CS-M1267

Structure of 10429-82-0

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General Information

CAS No. 10429-82-0
Cat. No. CS-M1267
Purity ≥96%
MDL No. MFCD00185654
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₆Cl₃N
Molecular Weight None
Synonym(s) N-Benzyl-N,N-Di(2-Chloroethyl)Amine Hydrochloride
SMILES ClCCN(CCCl)CC1=CC=CC=C1.Cl

Description

N-Benzylbis(2-chloroethyl)amine hydrochloride is a bifunctional alkylating agent featuring two reactive chloroethyl groups attached to a benzyl-substituted nitrogen. This structure enables efficient cross-linking of nucleophilic sites in biomolecules, particularly targeting DNA guanine residues. The hydrochloride salt form enhances solubility and stability under standard conditions, facilitating use in synthetic biology and medicinal chemistry workflows.

Application

N-Benzylbis(2-chloroethyl)amine hydrochloride serves as a versatile bifunctional electrophile in nucleophilic substitution reactions, enabling efficient synthesis of nitrogen-containing heterocycles and macrocyclic scaffolds. Its two reactive 2-chloroethyl arms facilitate rapid cyclization under mild conditions, offering high functional group tolerance and ease of purification. The benzyl group enhances solubility and stability, supporting its use in peptide conjugation, dendrimer assembly, and the construction of bioactive analogs.

Synthesis

Route1
- In-stock
  
  101-32-6
- ~97%
- In-stock
  
  10429-82-0
References
- EP970046 B1, ; Page 46 ;
Route2
- 100-39-0
- ~%
- In-stock
  
  10429-82-0
References
- European Journal of Medicinal Chemistry, , vol. 75, p. 11 - 20

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05,GHS06,GHS08
Signal Word : Danger	UN#: 1759
Class : 8	Packing Group : Ⅲ
Hazard Statements : H302-H314-H318-H331-H350
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 3.24
LogP 3.388
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 6

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Chemical Biology Pharmaceutical Development and Drug Discovery Research Reagents Building Blocks for Pharmaceutical Ingredients

Key Words

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N-Benzylbis(2-chloroethyl)amine hydrochloride

CAS No. 10429-82-0

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