Basic information
- CAS
1154266-61-1- Standard SMILES
CN1CCC(NCCc2ccc([N+](=O)[O-])cc2)CC1- InChIKey
MBLWNALJEFWODX-UHFFFAOYSA-N- Molecular formula
- C14H21N3O2
- Average molar mass
- 263.34 g/mol
- Monoisotopic mass
- 263.16337692
Names & identifiers
- Preferred name
- 1-methyl-N-(4-nitrophenethyl)piperidin-4-amine
- IUPAC
- 1-methyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
- English name
- 1-methyl-N-(4-nitrophenethyl)piperidin-4-amine
- Molecular formula
- C14H21N3O2
- Molecular weight
- 263.34
Names & synonyms
1154266-61-11-methyl-N-(4-nitrophenethyl)piperidin-4-amine1-methyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amineDTXSID90656116AKOS009544733DB-2112284-Piperidinamine, 1-methyl-N-[2-(4-nitrophenyl)ethyl]-
Database identifiers
- CAS
1154266-61-1- PubChem CID
- 43520007
- DTXSID
DTXSID90656116
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 406.3 · 406.3±40.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 9.55 · 9.55±0.20(Predicted)
Chemistry & industry
Suppliers3 total
BioBlocks Incorporated[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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