(1S)-2-amino-1-phenylethan-1-ol
PubChem CID: 643217
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| Compound Synonyms | (S)-2-Amino-1-phenylethanol, 56613-81-1, (1S)-2-amino-1-phenylethanol, (S)-(-)-2-Phenylglycinol, (1S)-2-amino-1-phenylethan-1-ol, (S)-(+)-2-AMINO-1-PHENYLETHANOL, MFCD00239405, (S)-2-amino-1-phenylethan-1-ol, (+)-Phenylethanolamine, (1S)-(+)-2-Amino-1-phenylethan-1-ol, 2-amino-1(S)-phenylethanol, (S)-2-Amino-1-phenylethanol, (S)-(+)-2-Amino-1-phenylethanol, CHEMBL19853, SCHEMBL175554, (1S)2-amino-1-phenylethanol, ULSIYEODSMZIPX-MRVPVSSYSA-N, (1S)-2-azanyl-1-phenyl-ethanol, FD1190, AKOS005146100, AKOS005254560, CS-W007718, PS-4695, (1S)-1-phenyl-1-hydroxy-ethan-2-amine, DB-005552, EN300-105091, A831114, (S)-2-Amino-1-phenylethanol, >=97.0% (sum of enantiomers, GC), 621-365-8 |
|---|---|
| Topological Polar Surface Area | 46.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 89.3 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P10938, P11086 |
| Iupac Name | (1S)-2-amino-1-phenylethanol |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Molecular Formula | C8H11NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | ULSIYEODSMZIPX-MRVPVSSYSA-N |
| Fcsp3 | 0.25 |
| Logs | 0.14 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.752 |
| Compound Name | (1S)-2-amino-1-phenylethan-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 137.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 137.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 137.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6623283999999998 |
| Inchi | InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m1/s1 |
| Smiles | C1=CC=C(C=C1)[C@@H](CN)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all