Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate
Basic information
- CAS
70293-13-9- Standard SMILES
CC(C)C(C)N(CCCCN)C(=N)N.O=C(O)c1ccccc1- InChIKey
FXIWUNCJKZOQFV-UHFFFAOYSA-N- Molecular formula
- C17H30N4O2
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.23687621
Names & identifiers
- Preferred name
- Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate
- IUPAC
- 1-(4-aminobutyl)-1-(3-methylbutan-2-yl)guanidine;benzoic acid
Names & synonyms
70293-13-9Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoateUNII-NJ3B22YW5NDTXSID40990512Benzoic acid--N-(4-aminobutyl)-N-(3-methylbutan-2-yl)guanidine (1/1)
Database identifiers
- CAS
70293-13-9- PubChem CID
- 155368
- DTXSID
DTXSID40990512
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 271
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Compound notes
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