Basic information
- CAS
5740-50-1- Standard SMILES
CCOC(=O)N1CCCCN1- InChIKey
QXUYUOORAMVQSV-UHFFFAOYSA-N- Molecular formula
- C7H14N2O2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.10552769
Names & identifiers
- Preferred name
- 1(2H)-Pyridazinecarboxylic acid, tetrahydro-, ethyl ester
- IUPAC
- ethyl diazinane-1-carboxylate
Names & synonyms
Ethyl tetrahydro-1(2H)-pyridazinecarboxylate5740-50-11(2H)-Pyridazinecarboxylic acid, tetrahydro-, ethyl esterDTXSID20205994RefChem:211622DTXCID50128485ethyl hexahydropyridazine-1-carboxylateETHYL 1,2-DIAZINANE-1-CARBOXYLATEhexahydropyridazine-1-carboxylic acid ethyl esterSCHEMBL29115071-ethoxycarbonylhexahydropyridazineN-ethoxycarbonylhexahydropyridazine
Show more names
QXUYUOORAMVQSV-UHFFFAOYSA-N2-ethoxycarbonyl-3,4,5,6-tetrahydro-(1H, 2H)-pyridazine2-ethoxycarbonyl-3,4,5,6-tetrahydro-(1H,2H)-pyridazine
Database identifiers
- CAS
5740-50-1- PubChem CID
- 3014377
- DTXSID
DTXSID20205994- Nikkaji
- J2.790.966C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Related reactions
18 records
Compound notes
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