Basic information
- CAS
27097-68-3- Standard SMILES
CCOC(=O)N(C)CCCCl- InChIKey
YXHMPUVTZRRMNB-UHFFFAOYSA-N- Molecular formula
- C7H14ClNO2
- Average molar mass
- 179.64 g/mol
- Monoisotopic mass
- 179.0713064
Names & identifiers
- Preferred name
- Ethyl (3-chloropropyl)methylcarbamate
- IUPAC
- ethyl N-(3-chloropropyl)-N-methylcarbamate
Names & synonyms
27097-68-3Ethyl (3-chloropropyl)methylcarbamateSCHEMBL8155293DTXSID60712011Ethyl (3-chloropropyl)(methyl)carbamateDA-34095
Database identifiers
- CAS
27097-68-3- PubChem CID
- 54532166
- DTXSID
DTXSID60712011
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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