Basic information
- CAS
105027-77-8- Standard SMILES
C[C@@H]1[C@H](C)N1CC(O)Cn1ccnc1[N+](=O)[O-]- InChIKey
VKUQQJFQNDTATQ-XOIHQXTHSA-N- Molecular formula
- C10H16N4O3
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.12224039
Names & identifiers
- Preferred name
- Rsu 1164
- IUPAC
- 1-[(2R,3S)-2,3-dimethylaziridin-1-yl]-3-(2-nitroimidazol-1-yl)propan-2-ol
- English name
- α-[[(2α,3α)-2,3-Dimethyl-1-aziridinyl]methyl]-2-nitro-1H-imidazole-1-ethanol
- Molecular formula
- C10H16N4O3
- Molecular weight
- 240.26
Names & synonyms
105027-77-8RefChem:930939RSU 1164BRN 4190669NSC600667cis-alpha-((2,3-Dimethyl-1-aziridinyl)methyl)-2-nitro-1H-imidazole-1-ethanol1H-Imidazole-1-ethanol, alpha-((2,3-dimethyl-1-aziridinyl)methyl)-2-nitro-, cis-CHEMBL315896NSC-600667NCI60_0045001-[(2R,3-dimethylaziridin-1-yl]-3-(2-nitro-1H-imidazol-1-yl)propan-2-olCis-alpha-(2,3-dimethyl-1- aziridinl)methyl)-2-Nitro-lH- imidazole ethanol
Show more names
α-[[(2α,3α)-2,3-Dimethyl-1-aziridinyl]methyl]-2-nitro-1H-imidazole-1-ethanol1H-Imidazole-1-ethanol, α-[[(2R,3S)-2,3-dimethyl-1-aziridinyl]methyl]-2-nitro-, rel-
Database identifiers
- CAS
105027-77-8- PubChem CID
- 149673
- ChEMBL
CHEMBL315896- Nikkaji
- J248.005K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 84 · 84-85 °C
- Boiling point
- 457.4 · 457.4±55.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 13.8 · 13.80±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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