3-(Aminomethyl)phenol
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Basic information
- CAS
73604-31-6- 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
- English name
- 2-Phenoxy-N-methylethylamine hydrochloride
- Molecular formula
- C7H9NO
- Molecular weight
- 123.15
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
3-Hydroxybenzylamine,98%3-Hydroxybenzylamine, >=97%3-Hydroxybenzenemethanamine[(3-Hydroxyphenyl)methyl]amineMetaraminol Bitartrate Impurity 312-Phenoxy-N-methylethylamine hydrochloride3-HYDROXYBENZYLAMINE[3-(AMINOMETHYL)PHENOL]3-Hydroxybenzylamine, (3-Hydroxyphenyl)methylamine
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 propertiesFilling in
- 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
Physicochemical properties
- Melting point
- 174 · 174-176
- Boiling point
- 264.7 · 264.7±15.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 9.86 · 9.86±0.10(Predicted)
- form
- powder
- color
- Faint beige to faint brown
- Water Solubility
- Soluble in water and ethanol.
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5,8H2
- InChIKey
- JNZYADHPGVZMQK-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=CC(CN)=C1
- CAS DataBase Reference
- 73604 · 73604-31-6
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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%)
Safety data
- ridadr
- UN3259
- hs_code
- 2922290090
- Signal word
- Warning
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- hazard_note
- Irritant
- hazard_class
- 8
- Hazard statements
- H314-H318
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3-Hydroxybenzylamine is used as pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 3-(aminomethyl)phenol is an aromatic amine.
Related reactions
50 records
Compound notes
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