Basic information
- CAS
1002033-53-5- Standard SMILES
NCCn1cc([N+](=O)[O-])cn1- InChIKey
GZTQKSKBFGFMNR-UHFFFAOYSA-N- Molecular formula
- C5H8N4O2
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.06472551
Names & identifiers
- Preferred name
- 2-(4-nitro-1H-pyrazol-1-yl)ethanamine
- IUPAC
- 2-(4-nitropyrazol-1-yl)ethanamine
- English name
- 2-(4-Nitro-pyrazol-1-yl)-ethylamine
- Molecular formula
- C5H8N4O2
- Molecular weight
- 156.14
Names & synonyms
2-(4-nitro-1H-pyrazol-1-yl)ethanamine1002033-53-52-(4-nitro-1h-pyrazol-1-yl)ethan-1-amine2-(4-nitropyrazol-1-yl)ethanamine[2-(4-nitro-1H-pyrazol-1-yl)ethyl]amine2-(4-Nitro-pyrazol-1-yl)-ethylamineMFCD049672862-(4-nitropyrazolyl)ethylamineGZTQKSKBFGFMNR-UHFFFAOYSA-NDTXSID2013029324-Nitro-1H-pyrazole-1-ethanamineALBB-021645
Show more names
AKOS B016099ART-CHEM-BB B0160992-(4-nitro-1-pyrazolyl)ethanamine1H-Pyrazole-1-ethanamine, 4-nitro-
SBB021263STK312570AKOS000220785AKOS015922347LS-06551DB-364091CS-0266530ST45055171
Database identifiers
- CAS
1002033-53-5- PubChem CID
- 7017136
- DTXSID
DTXSID201302932
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 315.6 · 315.6±22.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 8.45 · 8.45±0.10(Predicted)
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
1 records
Compound notes
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