Basic information
- Standard SMILES
NCc1cccc(O)c1- InChIKey
JNZYADHPGVZMQK-UHFFFAOYSA-N- Molecular formula
- C7H9NO
- Average molar mass
- 123.15 g/mol
- Monoisotopic mass
- 123.06841391
Overview
3-(aminomethyl)phenol is an aromatic amine.
Names & identifiers
- Preferred name
- 3-(Aminomethyl)phenol
- IUPAC
- 3-(aminomethyl)phenol
Names & synonyms
3-(aminomethyl)phenol3-Hydroxybenzylamine73804-31-6RefChem:494150674-286-6811-485-073604-31-6Phenol, 3-(aminomethyl)-MFCD007989773-aminomethyl-phenol3-Aminomethyl phenol3-hydroxy-benzylamine
Show more names
CHEMBL4069065Oprea1_183112SCHEMBL138953CHEBI:125604DTXSID90902923m-hydroxybenzylamineJNZYADHPGVZMQK-UHphenol, 3-aminomethyl-
Database identifiers
- CAS
73604-31-6、73804-31-6- PubChem CID
- 735894
- DTXSID
DTXSID90902923- ChEMBL
CHEMBL4069065- ChEBI
CHEBI:125604- EC Number
- 674-286-6、811-485-0
- Nikkaji
- J765.580K
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Corr. 1B (33.3%)
Skin Irrit. 2 (100%)
Related reactions
50 records
Linked notes
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