Biguanide, 1-isobutyl-, monohydrochloride
Basic information
- CAS
924-84-5- Standard SMILES
CC(C)CN=C(N)N=C(N)N.Cl- InChIKey
BWWLZUBMTAKUKN-UHFFFAOYSA-N- Molecular formula
- C6H16ClN5
- Average molar mass
- 193.68 g/mol
- Monoisotopic mass
- 193.1094232
Names & identifiers
- Preferred name
- Biguanide, 1-isobutyl-, monohydrochloride
- IUPAC
- 1-(diaminomethylidene)-2-(2-methylpropyl)guanidine;hydrochloride
Names & synonyms
924-84-5BIGUANIDE, 1-ISOBUTYL-, MONOHYDROCHLORIDEDTXSID50238992RefChem:1079859DTXCID00161483iBuB hydrochlorideNSC140880NSC-140880N-(Diaminomethylidene)-N''-(2-methylpropyl)guanidine--hydrogen chloride (1/1)
Database identifiers
- CAS
924-84-5- PubChem CID
- 13547
- DTXSID
DTXSID50238992
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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