Basic information
- CAS
1003561-92-9- Standard SMILES
COc1ccc(CC2CCNC2)cc1- InChIKey
GBFZEOSJYVTTOW-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101417
Names & identifiers
- Preferred name
- 3-(4-Methoxybenzyl)pyrrolidine
- IUPAC
- 3-[(4-methoxyphenyl)methyl]pyrrolidine
- English name
- 3-(4-methoxybenzyl)pyrrolidine
- Molecular formula
- C12H17NO
- Molecular weight
- 191.27
Names & synonyms
3-(4-METHOXYBENZYL)PYRROLIDINE1003561-92-93-[(4-methoxyphenyl)methyl]pyrrolidinePyrrolidine, 3-[(4-methoxyphenyl)methyl]-SCHEMBL5652518SCHEMBL27812848DTXSID80390976DQB56192MFCD07383259AKOS006227675DA-16516G80394
Show more names
3-(4-methoxybenzyl)pyrrolidin3-[(4-Methoxyphenyl)methyl]-pyrrolidine HCl
3-[(4-METHOXYPHENYL)METHYL]-PYRROLIDINEEN300-1275802
Database identifiers
- CAS
1003561-92-9- PubChem CID
- 3279079
- DTXSID
DTXSID80390976
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Chemistry & industry
Suppliers8 total
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
天津安浩生物科技有限公司[email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
华阴市赛普生物科技有限公司13892502238 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
Related reactions
2 records
Compound notes
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