3-Hydroxybenzylamine
AlkaPlorer ID: AK233973
Synonym: 3-(Aminomethyl)phenol, α-Amino-m-cresol
IUPAC Name: 3-(aminomethyl)phenol
Structure
SMILES: NCC1=CC=CC(O)=C1
InChI: InChI=1S/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5,8H2
InChIKey: JNZYADHPGVZMQK-UHFFFAOYSA-N
Reference
Glucosinolates and amines in Reseda media
PubChem CID: 735894
CAS: 387350-76-7
LOTUS: LTS0065873
SuperNatural Ⅲ: SN0170591
NPASS: NPC205412
COCONUT: CNP0366572
Source
Properties Information
Molecule Weight: 123.15499999999996
TPSA?: 46.25
MolLogP?: 0.8509
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Autotaxin | IC50 | 1258925.41 | nM | 10.1021/acs.jmedchem.6b01224 |
