Basic information
- CAS
7388-03-6- Standard SMILES
CC(C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1.Cl- InChIKey
STGOXRVTUNXXLQ-MERQFXBCSA-N- Molecular formula
- C11H17ClN2O3
- Average molar mass
- 260.72 g/mol
- Monoisotopic mass
- 260.0927701
Names & identifiers
- Preferred name
- Benzenemethanol, alpha-(((1-methylethyl)amino)methyl)-4-nitro-, monohydrochloride, (alphaR)-
- IUPAC
- (1R)-1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
Names & synonyms
(-)-Inpea hydrochloride7388-03-6DTXSID40224460Benzenemethanol, alpha-[[(1-methylethyl)amino]methyl]-4-nitro-, monohydrochloride, (alphaR)-Benzenemethanol, alpha-(((1-methylethyl)amino)methyl)-4-nitro-, monohydrochloride, (alphaR)-RefChem:1078540DTXCID40146951l-Inpea hydrochloride(-)-Inpea HCl(1R)-1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol;hydrochlorideD-(-)Nifenalol hydrochloride(1R)-1-(4-nitrophenyl)-2-[(propan-2-yl)amino]ethan-1-ol hydrochloride
Show more names
GEB2Z4GFZ4Nifenalol hydrochloride, (R)-orb1986825D-(-)-INPEA HYDROCHLORIDE(-)-alpha-((Isopropylamino)methyl)-p-nitrobenzyl alcohol hydrochloride(R)-2-(isopropylamino)-1-(4-nitrophenyl)ethan-1-ol hydrochlorideEBC-14373AKOS040749858
Database identifiers
- CAS
7388-03-6- PubChem CID
- 202057
- DTXSID
DTXSID40224460- UNII
- GEB2Z4GFZ4
Properties
Computed structural properties
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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