2-(Aziridin-1-yl)-1-phenylpropan-1-ol
Basic information
- CAS
91245-84-0- Standard SMILES
CC(C(O)c1ccccc1)N1CC1- InChIKey
UFWOIXUTGVVOPI-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 2-(Aziridin-1-yl)-1-phenylpropan-1-ol
- IUPAC
- 2-(aziridin-1-yl)-1-phenylpropan-1-ol
Names & synonyms
2-(aziridin-1-yl)-1-phenylpropan-1-ol91245-84-0DTXSID30919878RefChem:1061447DTXCID801348801BRN 0125870beta-Methyl-alpha-phenyl-1-aziridineethanol1-AZIRIDINEETHANOL, beta-METHYL-alpha-PHENYL-
Database identifiers
- CAS
91245-84-0- PubChem CID
- 56200
- DTXSID
DTXSID30919878
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 23.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
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Compound notes
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