Dinitrosoethambutol

HCID 40317

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Basic information

CAS: 52322-22-2
Standard SMILES: CCC(CO)N(CCN(N=O)C(CC)CO)N=O
InChIKey: GEIAKCPGVIYGOY-UHFFFAOYSA-N
Molecular formula: C10H22N4O4
Average molar mass: 262.31 g/mol
Monoisotopic mass: 262.1641052

Names & identifiers

Preferred name: Dinitrosoethambutol
IUPAC: N-(1-hydroxybutan-2-yl)-N-[2-[1-hydroxybutan-2-yl(nitroso)amino]ethyl]nitrous amide

Names & synonyms

Dinitrosoethambutol65229-18-72-({2-[(1-HYDROXYBUTAN-2-YL)(NITROSO)AMINO]ETHYL}(NITROSO)AMINO)BUTAN-1-OLd-N,N'-Bisnitroso-Ethambutolorb1697410DTXSID30966706AKOS040751586EBC-395073T31499EN300-37401714d-N-N'-Bisnitroso-N,N'-bis(1-hydroxymethylpropyl)ethylenediamineN,N'-Ethane-1,2-diylbis[N-(1-hydroxybutan-2-yl)nitrous amide]

Show more names

N-[1-(hydroxymethyl)propyl]-N-[2-[1-(hydroxymethyl)propyl-nitroso-amino]ethyl]nitrous amide

Database identifiers

CAS: 52322-22-2、65229-18-7
PubChem CID: 40317
DTXSID: DTXSID30966706
EC Number: 883-426-7
Nikkaji: J64.672E

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 106 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 18
Formal charge: 0
Complexity: 218

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