2,5-Bis(2-hydroxyethylamino)-3,6-bis(carboethoxyamino)-1,4-benzoquinone
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Basic information
- CAS
77036-53-4- Standard SMILES
CCOC(=O)NC1=C(NCCO)C(=O)C(NC(=O)OCC)=C(NCCO)C1=O- InChIKey
LTDDICJYQGXENQ-UHFFFAOYSA-N- Molecular formula
- C16H24N4O8
- Average molar mass
- 400.38 g/mol
- Monoisotopic mass
- 400.15941374
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,5-Bis(2-hydroxyethylamino)-3,6-bis(carboethoxyamino)-1,4-benzoquinone
- IUPAC
- ethyl N-[4-(ethoxycarbonylamino)-2,5-bis(2-hydroxyethylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate
- English name
- 2,5-bis(2-hydroxyethylamino)-3,6-bis(carboethoxyamino)-1,4-benzoquinone
- Molecular formula
- C16H24N4O8
- Molecular weight
- 400.38
Names & synonyms
77036-53-42,5-Bis(2-hydroxyethylamino)-3,6-bis(carboethoxyamino)-1,4-benzoquinoneDTXSID70227843RefChem:82700DTXCID20150334AzqdaaAzq diaminoalcoholSCHEMBL30366327Carbamic acid, (2,5-bis((2-hydroxyethyl)amino)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis-, diethyl esterDiethyl {2,5-bis[(2-hydroxyethyl)amino]-3,6-dioxocyclohexa-1,4-diene-1,4-diyl}biscarbamateCarbamic acid, [2,5-bis[(2-hydroxyethyl)amino]-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-, diethyl ester (9CI)
Database identifiers
- CAS
77036-53-4- PubChem CID
- 127536
- DTXSID
DTXSID70227843
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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