Guanidine, (2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, sulfate
Basic information
- CAS
2779-60-4- Standard SMILES
CN1CCCN(CCN=C(N)N)CC1.O=S(=O)(O)O- InChIKey
LUCIPVPWROGJJQ-UHFFFAOYSA-N- Molecular formula
- C9H23N5O4S
- Average molar mass
- 297.38 g/mol
- Monoisotopic mass
- 297.14707541
Names & identifiers
- Preferred name
- Guanidine, (2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, sulfate
- IUPAC
- 2-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine;sulfuric acid
Names & synonyms
2779-60-4Guanidine, (2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, sulfate(2-(4-Methylhexahydro-1H-4-azazepin-1-yl)ethyl)guanidine sulfate(2-(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)guanidine sulfateDTXSID80182111RefChem:346714DTXCID90104602Sulfuric acid--N''-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine (1/1)
Database identifiers
- CAS
2779-60-4- PubChem CID
- 200827
- DTXSID
DTXSID80182111
Properties
Computed structural properties
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 269
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Related reactions
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Compound notes
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