Basic information
- CAS
1974-67-0- Standard SMILES
CCN(Cc1ccccc1)C(=N)N.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
JAKJLNKFKJOVIW-LREBCSMRSA-N- Molecular formula
- C14H21N3O6
- Average molar mass
- 327.33 g/mol
- Monoisotopic mass
- 327.1430354
Names & identifiers
- Preferred name
- 2,3-Dihydroxybutanedioic acid--N-benzyl-N-ethylguanidine (1/1)
- IUPAC
- 1-benzyl-1-ethylguanidine;(2R,3R)-2,3-dihydroxybutanedioic acid
Names & synonyms
1974-67-0DTXSID509414992,3-Dihydroxybutanedioic acid--N-benzyl-N-ethylguanidine (1/1)RefChem:1059430DTXCID101369929GUANIDINE, 1-BENZYL-1-ETHYL-, TARTRATEN-Benzyl-N-ethylguanidine tartrate1-Benzyl-1-ethylguanidine tartrateGuanidine, 1-ethyl-1-(phenylmethyl)-, tartrate(2R,3R)-2,3-Dihydroxybutanedioic acid--N-benzyl-N-ethylguanidine (1/1)
Database identifiers
- CAS
1974-67-0- PubChem CID
- 16094
- DTXSID
DTXSID50941499
Properties
Computed structural properties
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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