N-(Chloromethyl)-N-ethylethanamine
Basic information
- CAS
13125-61-6- Standard SMILES
CCN(CC)CCl- InChIKey
ZBUQPAJRQXISTC-UHFFFAOYSA-N- Molecular formula
- C5H12ClN
- Average molar mass
- 121.61 g/mol
- Monoisotopic mass
- 121.0658271
Names & identifiers
- Preferred name
- N-(Chloromethyl)-N-ethylethanamine
- IUPAC
- N-(chloromethyl)-N-ethylethanamine
Names & synonyms
N-(Chloromethyl)-N-ethylethanamine13125-61-6DTXSID20500759RefChem:362637DTXCID10451569chloromethyldi-ethylamineSCHEMBL7114582AKOS006384430
Database identifiers
- CAS
13125-61-6- PubChem CID
- 12507484
- DTXSID
DTXSID20500759- Nikkaji
- J1.131.050H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 35.1
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Compound notes
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