N-Chlorobetainyl chloride supplier

Name
N-Chlorobetainyl chloride
EINECS
CAS No. 53684-57-4
Article Data12
CAS DataBase
Density
Solubility
Melting Point 64 °C
Formula C₅H₁₁Cl₂NO
Boiling Point
Molecular Weight 172.054
Flash Point
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Ethanaminium,2-chloro-N,N,N-trimethyl-2-oxo-, chloride (9CI);[(Chloroformyl)methyl]trimethylammoniumchloride (6CI,7CI);N-Chlorobetainyl chloride;ethanaminium, 2-chloro-N,N,N-trimethyl-2-oxo-, chloride (1:1);
PSA 17.07000
LogP -2.53800

N-Chlorobetainyl chloride Specification

The N-Chlorobetainyl chloride, with the CAS registry number 53684-57-4, has the systematic name of 2-chloro-N,N,N-trimethyl-2-oxoethanaminium chloride. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C₅H₁₁Cl₂NO.

The characteristics of N-Chlorobetainyl chloride are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 17.07 Å².

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].ClC(=O)C[N+](C)(C)C
(2)InChI: InChI=1/C5H11ClNO.ClH/c1-7(2,3)4-5(6)8;/h4H2,1-3H3;1H/q+1;/p-1
(3)InChIKey: UMGZDDHBCPLZEB-REWHXWOFAA

Product Name

N-Chlorobetainyl chloride

N-Chlorobetainyl chloride Specification

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