Basic information
- CAS
20529-26-4- Standard SMILES
COc1ccc(N2CCN(CCN)CC2)cc1- InChIKey
AOPSZOVWAGGDCI-UHFFFAOYSA-N- Molecular formula
- C13H21N3O
- Average molar mass
- 235.33 g/mol
- Monoisotopic mass
- 235.16846229
Overview
See also: 4-(4-Methoxyphenyl)-1-piperazineethanamine (annotation moved to).
Names & identifiers
- Preferred name
- 2-[4-(4-Methoxyphenyl)piperazin-1-yl]ethanamine
- IUPAC
- 2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
- English name
- 2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
- Molecular formula
- C13H21N3O
- Molecular weight
- 235.33
Names & synonyms
2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine20529-26-42-[4-(4-METHOXYPHENYL)PIPERAZIN-1-YL]ETHAN-1-AMINEMFCD03030390F2158-0050MLS0048201652-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethylamineSCHEMBL4251574DTXSID30361393AOPSZOVWAGGDCI-UHFFFAOYSA-NHMS1601I01SMSSF-0017756
Show more names
IFLAB-BB F2158-0050UKRORGSYN-BB BBV-0394264-(4-methoxyphenyl)-1-Piperazineethanamine1-Piperazineethanamine, 4-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1-piperazinyl]ethanamine
ALBB-007133STK504320AKOS000154299AB13011DA-20194LS-02606SMR0015344294-(4-methoxyphenyl)piperazin-1-ylethylamine
Database identifiers
- CAS
20529-26-4- PubChem CID
- 1256108
- DTXSID
DTXSID30361393
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- form
- solid
- InChI
- 1S/C13H21N3O/c1-17-13-4-2-12(3-5-13)16-10-8-15(7-6-14)9-11-16/h2-5H,6-11,14H2,1H3
- InChIKey
- AOPSZOVWAGGDCI-UHFFFAOYSA-N
- UNSPSC Code
- 12352005 · 12352005
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 261 · P261-P280-P333+P313-P337+P313-P362+P364
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Sens. 1
Safety & regulation
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H319
- Hazard Classifications
- Eye Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P280-P333+P313-P337+P313-P362+P364
Chemistry & industry
Suppliers8 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海睿升化工科技有限公司+86-021-50935922
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
22 records
Compound notes
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