Basic information
- CAS
3213-29-4- Standard SMILES
COc1cccc(CCN)c1OC- InChIKey
XKBUFTXNLBWTFP-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Names & identifiers
- Preferred name
- 2,3-Dimethoxyphenethylamine
- IUPAC
- 2-(2,3-dimethoxyphenyl)ethanamine
- English name
- 2,3-Dimethoxyphenethylamine
- Molecular formula
- C10H15NO2
- Molecular weight
- 181.23
Names & synonyms
2,3-Dimethoxyphenethylamine3213-29-4LUW5Z6DJ9QDTXSID10185913RefChem:81805DTXCID50108404625-549-9XKBUFTXNLBWTFP-UHFFFAOYSA-N2-(2,3-Dimethoxyphenyl)ethanamine2-(2,3-dimethoxyphenyl)ethan-1-amine2,3-DimethoxybenzeneethanamineMFCD00060613
Show more names
RARECHEM AL BW 0356Xylose Impurity 13-13C1B2,3-Dimethoxyphenylethylamine2,3-Dimethoxyphenethylamine 97%2,3-Dimethoxyphenethylamine ,98%2-(2,3-dimethoxyphenyl)ethylamine
23-DimethoxyphenethylamineBenzeneethanamine, 2,3-dimethoxy-Dopamine Impurity 52UNII-LUW5Z6DJ9Qdimethoxybenzeneethan-amine2,3-dimethoxy phenethylamineSCHEMBL151944SCHEMBL6856486
Database identifiers
- CAS
3213-29-4- PubChem CID
- 137858
- DTXSID
DTXSID10185913- UNII
- LUW5Z6DJ9Q
- EC Number
- 625-549-9
- Nikkaji
- J579.370J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 261 · 261-262 °C(lit.)
- Density
- 1.178 g/mL · 1.178 g/mL
- refractive index
- 20 · n20/D 1.5320(lit.)
- Flash point
- 230 °F · >230 °F
- pka
- 9.72 · 9.72±0.10(Predicted)
- Specific Gravity
- 1.09 · 1.09
- InChI
- InChI=1S/C10H15NO2/c1-12-9-5-3-4-8(6-7-11)10(9)13-2/h3-5H,6-7,11H2,1-2H3
- InChIKey
- XKBUFTXNLBWTFP-UHFFFAOYSA-N
- SMILES
- C1(CCN)=CC=CC(OC)=C1OC
- CAS DataBase Reference
- 3213 · 3213-29-4(CAS DataBase Reference)
- FDA UNII
- 5 Z6DJ9Q · LUW5Z6DJ9Q
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
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 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29214990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- AIR SENSITIVE, CORROSIVE
- Storage Class
- 8B - Non-combustible corrosive hazardous materials
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Chemistry & industry
Applications
Uses2,3-Dimethoxyphenethylamine may be used in the synthesis of N-(2,3-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide and N-(3,4-dimethoxyphenethyl)-phenyl acetamide.
General Description2,3-Dimethoxyphenethylamine is identified as one of the components in bamboo (Phyllostachys pubescens) plant extract by gas chromatographic- mass spectrometric analysis. 1-(2,3-dimethoxyphenyl)-2-nitroethene undergoes reduction reaction with lithium aluminum hydride (LiAlH4) in the presence of dry tetrahydrofuran to yield 2,3-dimethoxyphenethylamine.
Upstream & downstream products
Upstream raw materials
Suppliers49 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
Nanjing Fred Technology Co., Ltd
Related reactions
11 records
Compound notes
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