Basic information
- CAS
367281-01-4- Standard SMILES
COc1cc(OC)cc(C2CCCN2)c1- InChIKey
SCIDTXFHJJWWTD-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- 2-(3,5-Dimethoxyphenyl)pyrrolidine
- IUPAC
- 2-(3,5-dimethoxyphenyl)pyrrolidine
- English name
- 2-(3,5-dimethoxyphenyl)pyrrolidine
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
2-(3,5-dimethoxyphenyl)pyrrolidine367281-01-4DTXSID40398079RefChem:454732DTXCID40348938MFCD02663421SCHEMBL16610729AKOS000159936AKOS016343693SY253407DB-069426CS-0451706
Show more names
Pyrrolidine, 2-(3,5-dimethoxyphenyl)-
G73695EN300-1841084F773339
Database identifiers
- CAS
367281-01-4- PubChem CID
- 3935802
- DTXSID
DTXSID40398079- EC Number
- 111-422-0
- Nikkaji
- J1.601.728K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 323 ℃ · 323℃
- Density
- 1.052 · 1.052
- Flash point
- 130 ℃ · 130℃
- storage temp.
- 2 · 2-8°C
- pka
- 9.44 · 9.44±0.10(Predicted)
- form
- solid
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C12H17NO2/c1-14-10-6-9(7-11(8-10)15-2)12-4-3-5-13-12/h6-8,12-13H,3-5H2,1-2H3
- InChIKey
- SCIDTXFHJJWWTD-UHFFFAOYSA-N
- SMILES
- COC1=CC(OC)=CC(C2NCCC2)=C1
- UNSPSC Code
- 12352005 · 12352005
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 310 · H310-H315-H319
- Precautionary statements
- 262 · P262-P264-P280-P302+P352+P310-P305+P351+P338-P332+P313
- WGK Germany
- 3 · WGK 3
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
H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal]
P262, P264, P264+P265, P270, P280, P302+P352, P305+P351+P338, P316, P321, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 1 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H310-H315-H319
- Hazard Classifications
- Acute Tox. 1 DermalEye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P262-P264-P280-P302+P352+P310-P305+P351+P338-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
江苏药泽医药科技有限公司18962082606 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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