Basic information
- CAS
63991-60-6- Standard SMILES
CCCCCCC[NH2+]Cc1ccc(C(C)C)cc1.O=S(=O)([O-])O- InChIKey
CMXAHMLCIIBQND-UHFFFAOYSA-N- Molecular formula
- C17H31NO4S
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.19737964
Names & identifiers
- Preferred name
- Benzylamine, N-heptyl-p-isopropyl-, hydrogen sulfate
- IUPAC
- heptyl-[(4-propan-2-ylphenyl)methyl]azanium;hydrogen sulfate
Names & synonyms
p-Isopropylbenzylheptylamine sulfate63991-60-6BENZYLAMINE, N-HEPTYL-p-ISOPROPYL-, HYDROGEN SULFATEHeptylamine, N-(p-isopropylbenzyl)-, hydrogen sulfateDTXSID70213943RefChem:328820DTXCID00136434N-{[4-(Propan-2-yl)phenyl]methyl}heptan-1-aminium hydrogen sulfate
Database identifiers
- CAS
63991-60-6- PubChem CID
- 46288
- DTXSID
DTXSID70213943
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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