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Catalog Number | ACM60195-4 |
CAS Number | 60-19-5 |
Structure | ![]() |
Synonyms | 4-(2-Aminoethyl)phenol hydrochloride |
Molecular Weight | 173.64 |
Molecular Formula | C8H12ClNO |
Canonical SMILES | NCCC1=CC=C(O)C=C1.[H]Cl |
InChI | InChI=1S/C8H11NO.ClH/c9-6-5-7-1-3-8(10)4-2-7;/h1-4,10H,5-6,9H2;1H |
InChI Key | RNISDHSYKZAWOK-UHFFFAOYSA-N |
Melting Point | 253-255 °C |
Purity | 99%+ |
Appearance | Off-white to gray solid |
Storage | 4 °C, Sealed storage, away from moisture In solvent: -80 °C, 6 months; -20 °C, 1 month (Sealed storage, away from moisture) |
Complexity | 87.3 |
Covalently-Bonded Unit Count | 2 |
Defined Atom Stereocenter Count | 0 |
Exact Mass | 173.0607417 |
Formal Charge | 0 |
Heavy Atom Count | 11 |
Hydrogen Bond Acceptor Count | 2 |
Hydrogen Bond Donor Count | 3 |
Isotope Atom Count | 0 |
Monoisotopic Mass | 173.0607417 |
PhysicalState | Crystalline powder |
Rotatable Bond Count | 2 |
Topological Polar Surface Area | 46.2 Ų |
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