2-Pyrrolidinemethanol, 1-(4-nitrophenyl)-
Basic information
- CAS
105173-13-5- Standard SMILES
O=[N+]([O-])c1ccc(N2CCCC2CO)cc1- InChIKey
HCVBBVTZZJFVLA-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Names & identifiers
- Preferred name
- 2-Pyrrolidinemethanol, 1-(4-nitrophenyl)-
- IUPAC
- [1-(4-nitrophenyl)pyrrolidin-2-yl]methanol
Names & synonyms
2-Pyrrolidinemethanol, 1-(4-nitrophenyl)-105173-13-5DTXSID30345572RefChem:89367DTXCID20296645HCVBBVTZZJFVLA-UHFFFAOYSA-N[1-(4-nitrophenyl)pyrrolidin-2-yl]methanol(S)-(1-(4-Nitrophenyl)pyrrolidin-2-yl)methanol(S)-(-)-1-(4-NITROPHENYL)-2-PYRROLIDINE&(S)-(-)-1-(4-NITROPHENYL)-2-PYRROLIDINE&;(S)-(-)-1-(nitrophenyl)-2-pyrrolidinemethanol;)-1-(4-Nitrophenyl)-2-pyrrolidinemethanol;[(2S)-1-(4-nitrophenyl)-2-pyrrolidinyl]methanol1-(4-nitrophenyl)-2-pyrrolidinemethanolSCHEMBL1092846
Show more names
AKOS009157826SB47211[1-(4-Nitrophenyl)-2-pyrrolidinyl]methanol #
Database identifiers
- CAS
105173-13-5- PubChem CID
- 605643
- DTXSID
DTXSID30345572- Nikkaji
- J655.662K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
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Related reactions
2 records
Compound notes
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