Structural formula
| Business number | 03ZJ |
|---|---|
| Molecular formula | C8H12ClN |
| Molecular weight | 157.64 |
| label |
Beta-phenylethylamine hydrochloride, 4-Hydroxyphenylacetic acid, 4-Hydroxyphenylacetic acid, p-hydroxyphenylacetic acid, p-hydroxyphenylacetic acid, 4-Hydroxyphenylacetic acid, (p-hydroxyphenyl)-aceticaci, 4-carboxymethylphenol, 4-Hydroxybenzeneacetic acid, 4-hydroxy-benzeneaceticaci, 4-hydroxybenzeneaceticacid, 4-hydroxyphenylethanoic acid |
Numbering system
CAS number:156-28-5
MDL number:MFCD00012893
EINECS number:205-849-2
RTECS number:SH7175000
BRN number:3624163
PubChem number:24898772
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 26
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 65
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 2
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
