Basic information
- CAS
111-23-9- Standard SMILES
NC(N)=NCCCCCCCCCCN=C(N)N- InChIKey
OZZMUVKANAPKGI-UHFFFAOYSA-N- Molecular formula
- C12H28N6
- Average molar mass
- 256.39 g/mol
- Monoisotopic mass
- 256.23754492
Overview
Synthalin A is a member of the class of guanidines that is decane having guanidino groups at the 1- and 10-positions. It has a role as a hypoglycemic agent, a hepatotoxic agent and a nephrotoxic agent. It is a conjugate base of a synthalin A(2+). It derives from a hydride of a decane.
Names & identifiers
- Preferred name
- N,N'''-1,10-Decanediylbis(guanidine)
- IUPAC
- 2-[10-(diaminomethylideneamino)decyl]guanidine
- English name
- SYNTHALIN SULFATE
- Molecular formula
- C12H28N6
- Molecular weight
- 256.39
Names & synonyms
Synthalin A111-23-9CHEBI:843381,10-bis(guanidino)-n-decanebisG10bisG-10RefChem:9263911,10-decamethylenediguanideN,N'''-1,10-Decanediylbis(guanidine)203-848-1N,N'''-1,10-Decanediylbisguanidine1,1'-decane-1,10-diyldiguanidine
Show more names
SYNTHALINSYNTHALIN SULFATESYNTHALIN SULFATE SALT1,10-DiguanidinodecaneSYNTHALIN SULFATE SALT 99%Guanidine, N,N'''-1,10-decanediylbis-N,N'-1,10-DECANEDIYLBISGUANIDINE SULFATEN,N'-1,10-DECANEDIYLBIS(GUANIDINE) H2SO4
2-[10-(diaminomethylideneamino)decyl]guanidinedecamethylenediguanidineTocris-0635UNII-ZEA6Y34XYTdecamethylenebis(guanidine)Biomol-NT_0001851,10-bis(guanidino)decane1,1'-decamethylenediguanidine
Database identifiers
- CAS
111-23-9- PubChem CID
- 66977
- DTXSID
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 389.8 · 389.8±48.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 14.21 · 14.21±0.70(Predicted)
- FDA UNII
- 6 Y34XYT · ZEA6Y34XYT
Chemistry & industry
Applications
UsesSynthalin sulfate is an NMDA receptor antagonist.
Suppliers7 total
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: A member of the class of guanidines that is decane having guanidino groups at the 1- and 10-positions.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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