Heptane-2,4-diyl bis(hydrogen carbonimidate)

HCID 44784

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Basic information

CAS: 63834-26-4
Standard SMILES: CCCC(CC(C)OC(N)=O)OC(N)=O
InChIKey: MEFAXPOIMLNACU-UHFFFAOYSA-N
Molecular formula: C9H18N2O4
Average molar mass: 218.25 g/mol
Monoisotopic mass: 218.12665706

Names & identifiers

Preferred name: Heptane-2,4-diyl bis(hydrogen carbonimidate)
IUPAC: 4-carbamoyloxyheptan-2-yl carbamate
English name: 2,4-Bis(carbamoyloxy)heptane
Molecular formula: C9H18N2O4
Molecular weight: 218.25

Names & synonyms

63834-26-4DTXSID60980435Heptane-2,4-diyl bis(hydrogen carbonimidate)RefChem:1086438DTXCID2014077122,4-HEPTANEDIOL, DICARBAMATE2,4-Bis(carbamoyloxy)heptaneDB-3130792,4-Heptanediol dicarbamate2,4-Heptanediol, dicarbamate (9CI)

Database identifiers

CAS: 63834-26-4
PubChem CID: 44784
DTXSID: DTXSID60980435
Nikkaji: J73.619H

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 105 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 15
Formal charge: 0
Complexity: 220

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