OTS
Summary
Name: | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL |
Synonyms: | S-OCTOPAMINE |
Formula: | C8 H11 N O2 |
Formal charge: | 0 |
Formula weight: | 153.178 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 4-[(1S)-2-amino-1-hydroxyethyl]phenol |
OpenEye OEToolkits | 1.5.0 | 4-[(1S)-2-amino-1-hydroxy-ethyl]phenol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC(c1ccc(O)cc1)CN |
SMILES_CANONICAL | CACTVS | 3.341 | NC[C@@H](O)c1ccc(O)cc1 |
SMILES | CACTVS | 3.341 | NC[CH](O)c1ccc(O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@@H](CN)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(CN)O)O |
InChI | InChI | 1.03 | InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m1/s1 |
InChIKey | InChI | 1.03 | QHGUCRYDKWKLMG-MRVPVSSYSA-N |