Guanidine, pentabutyl-

HCID 189218

Notes Reactions

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Basic information

CAS: 114591-53-6
Standard SMILES: CCCCN=C(N(CCCC)CCCC)N(CCCC)CCCC
InChIKey: AXQUONJGMAVWJA-UHFFFAOYSA-N
Molecular formula: C21H45N3
Average molar mass: 339.6 g/mol
Monoisotopic mass: 339.36134845

Names & identifiers

Preferred name: Guanidine, pentabutyl-
IUPAC: 1,1,2,3,3-pentabutylguanidine

Names & synonyms

Guanidine, pentabutyl-114591-53-6pentabutylguanidinpenta-n-butylguanidineSCHEMBL2233720DTXSID7075181AXQUONJGMAVWJA-UHFFFAOYSA-NN,N,N',N',N''-PENTABUTYLGUANIDINE

Database identifiers

CAS: 114591-53-6
PubChem CID: 189218
DTXSID: DTXSID7075181

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 18.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 17
Heavy atoms: 24
Formal charge: 0
Complexity: 251

Related reactions

7 records

New reaction record

HRID 484187As productuspto-grants-1993_07

HRID 625160As productuspto-grants-2016_04

HRID 625161As reactantuspto-grants-2016_04

HRID 654565As productuspto-grants-1992_07

HRID 1090473As productuspto-grants-1992_01

HRID 1197110As productuspto-grants-1992_05

HRID 1239136As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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