p-Amino-beta-phenylphenethylamine sulfate monohydrate
Basic information
- CAS
116277-87-3- Standard SMILES
NCC(c1ccccc1)c1ccc(N)cc1.O.O=S(=O)(O)O- InChIKey
KNCSMGIEPJSEQP-UHFFFAOYSA-N- Molecular formula
- C14H20N2O5S
- Average molar mass
- 328.39 g/mol
- Monoisotopic mass
- 328.10929292
Names & identifiers
- Preferred name
- p-Amino-beta-phenylphenethylamine sulfate monohydrate
- IUPAC
- 4-(2-amino-1-phenylethyl)aniline;sulfuric acid;hydrate
Names & synonyms
GK0J5C8WKOUNII-GK0J5C8WKOp-Amino-beta-phenylphenethylamine sulfate monohydrate116277-87-32-(p-Aminophenyl)-2-phenylethylamine sulfate monohydrateBenzeneethanamine, 4-amino-beta-phenyl-, sulfate (1:1), monohydrateBenzeneethanamine, 4-amino-beta-phenyl-, sulfate, hydrate (1:1:1)2-Phenyl-2-(p-aminophenyl)ethylamine sulate monohydrateQ27279129P-AMINO-.BETA.-PHENYLPHENETHYLAMINE SULFATE MONOHYDRATEBENZENEETHANAMINE, 4-AMINO-.BETA.-PHENYL-, SULFATE (1:1), MONOHYDRATEBENZENEETHANAMINE, 4-AMINO-.BETA.-PHENYL-, SULFATE, HYDRATE (1:1:1)
Database identifiers
- CAS
116277-87-3- PubChem CID
- 517403
- UNII
- GK0J5C8WKO
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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