Benzyl-bis(2-chloroethyl)azanium;chloride
Basic information
- CAS
10429-82-0- Standard SMILES
ClCC[NH+](CCCl)Cc1ccccc1.[Cl-]- InChIKey
AZRWNJFEUSHORT-UHFFFAOYSA-N- Molecular formula
- C11H16Cl3N
- Average molar mass
- 268.6 g/mol
- Monoisotopic mass
- 267.034833
Overview
See also: N,N-Bis(2-chloroethyl)benzylamine hydrochloride (preferred).
Names & identifiers
- Preferred name
- Benzyl-bis(2-chloroethyl)azanium;chloride
- IUPAC
- benzyl-bis(2-chloroethyl)azanium chloride
- English name
- N-Benzyl-bis(2-chloroethyl)amine hydrochloride
- Molecular formula
- C11H16Cl3N
- Molecular weight
- 268.61
Names & synonyms
benzyl-bis(2-chloroethyl)azanium;chlorideN-Benzyl-bis-(2-chloroethyl)amine hydrochlorideUNII-YFI3592JVSAKOS005098198N-benzyl-2-chloro-N-(2-chloroethyl)ethanamineeMbitoembitolBUTTPARK 146\50-40N-Benzyl-N,N-bis(2-chloroethyl)amineN-BENZYL-BIS(2-CHLOROETHYL)AMINE HCLN,N-Di(2-Chloroethyl) Benzylamine HCln- Benzyl-2-Chloro-n-(2-Chloroethyl)Et
Show more names
N Benzyl N, N Bis (2 chloroéthyl) AMineN-BENZYL-N,N-BIS(2-CHLOROETHYL)AMINE HCL
Database identifiers
- CAS
10429-82-0- PubChem CID
- 25273
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 134 · 134-136°
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly)
- form
- Solid
- color
- Off-White to Pale Beige
- Stability
- Hygroscopic
- 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
- InChIKey
- AZRWNJFEUSHORT-UHFFFAOYSA-N
- SMILES
- N(CCCl)(CCCl)CC1C=CC=CC=1.Cl
- CAS DataBase Reference
- 10429 · 10429-82-0(CAS DataBase Reference)
- FDA UNII
- 3592 JVS · YFI3592JVS
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P280
- Hazard Codes
- Xi
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- UN2923
- hs_code
- 29214990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P280
Chemistry & industry
Applications
UsesN-Benzyl-bis(2-chloroethyl)amine Hydrochloride can be used to prepare RSV F protein inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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