Basic information
- CAS
98545-15-4- Standard SMILES
CNCCN1CCN(C)CC1- InChIKey
LZEBHQQBLHMJOG-UHFFFAOYSA-N- Molecular formula
- C8H19N3
- Average molar mass
- 157.26 g/mol
- Monoisotopic mass
- 157.15789762
Names & identifiers
- Preferred name
- N-Methyl-2-(4-methylpiperazin-1-yl)ethan-1-amine
- IUPAC
- N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
- English name
- 1-Piperazineethanamine,N,4-dimethyl-(9CI)
- Molecular formula
- C8H19N3
- Molecular weight
- 157.26
Names & synonyms
98545-15-4DTXSID80566417N-methyl-2-(4-methylpiperazin-1-yl)ethan-1-amineRefChem:364418DTXCID90517192N-METHYL-2-(4-METHYLPIPERAZIN-1-YL)ETHANAMINEMETHYL-[2-(4-METHYL-PIPERAZIN-1-YL)-ETHYL]-AMINEmethyl[2-(4-methylpiperazin-1-yl)ethyl]amineMFCD09864339SCHEMBL2281455SCHEMBL2654670SCHEMBL5897137
Show more names
N-methyl-2-(4-methylazine-1-yl)ethylamine1-?Piperazineethanamine?, N,?4-?dimethyl-1-Piperazineethanamine,N,4-dimethyl-(9CI)N-methyl-2-(4-methylpiperazin-1-yl)ethanamine(SALTDATA: FREE)
SCHEMBL28996720LZEBHQQBLHMJOG-UHFFFAOYSA-NALBB-030151AKOS000256784AB53832LS-10749DB-080547CS-0340402
Database identifiers
- CAS
98545-15-4- PubChem CID
- 14979290
- DTXSID
DTXSID80566417
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97
Physicochemical properties
- Boiling point
- 209.8 · 209.8±8.0 °C(Predicted)
- Density
- 0.917 · 0.917±0.06 g/cm3(Predicted)
- pka
- 10.42 · 10.42±0.10(Predicted)
- InChI
- InChI=1S/C8H19N3/c1-9-3-4-11-7-5-10(2)6-8-11/h9H,3-8H2,1-2H3
- InChIKey
- LZEBHQQBLHMJOG-UHFFFAOYSA-N
- SMILES
- N1(CCNC)CCN(C)CC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Suppliers13 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
成都康悦慧蓝医药技术有限公司028-81092800 17323275954 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海智乾生物科技有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Related reactions
4 records
Compound notes
Loading…