Di-n-butyl carbodiimide

HCID 239294

Notes Reactions

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Basic information

CAS: 693-64-1
Standard SMILES: CCCCN=C=NCCCC
InChIKey: QAOHUQQBIYCWLD-UHFFFAOYSA-N
Molecular formula: C9H18N2
Average molar mass: 154.25 g/mol
Monoisotopic mass: 154.14699858

Names & identifiers

Preferred name: Di-n-butyl carbodiimide
IUPAC: N,N'-dibutylmethanediimine

Names & synonyms

di-n-butyl carbodiimide693-64-1DTXSID70286213RefChem:336876DTXCID90237363N,N'-dibutylmethanediimineNSC44219di-n-butylcarbodiimideSCHEMBL157518QAOHUQQBIYCWLD-UHFFFAOYSA-Nbutyl-(butylimino-methylene)-amineNSC-44219

Database identifiers

CAS: 693-64-1
PubChem CID: 239294
DTXSID: DTXSID70286213
Nikkaji: J380.796G

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 24.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 11
Formal charge: 0
Complexity: 106

Related reactions

1 records

New reaction record

HRID 1657526As reactantuspto-grants-1976_06

Compound notes

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