Basic information
- CAS
6539-57-7- Standard SMILES
CC(N)C(O)c1ccc(O)c(O)c1- InChIKey
GEFQWZLICWMTKF-UHFFFAOYSA-N- Molecular formula
- C9H13NO3
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.08954328
Overview
Nordephrine is a catecholamine.
Names & identifiers
- Preferred name
- Nordefrin
- IUPAC
- 4-(2-amino-1-hydroxypropyl)benzene-1,2-diol
- English name
- 2-amino-1-(3,4-dihydroxyphenyl)propan-1-ol
- Molecular formula
- C9H13NO3
- Molecular weight
- 183.2
Names & synonyms
Nordefrin4-(2-Amino-1-hydroxypropyl)-1,2-benzenediolDl-corbadrine1,2-Benzenediol, 4-(2-amino-1-hydroxypropyl)-DTXSID10859546Norephrine74812-63-83,4 Dihydroxynorephedrine(+-)-Cobefrinalpha Methylnoradrenalinealpha MethylnorepinephrineRefChem:927903
Show more names
2-amino-1-(3,4-dihydroxyphenyl)propan-1-olD,L-4-(2-Amino-1-hydroxy-propyl)-1,2-benzoldiol
DTXCID601989373,4-DihydroxynorephedrineR81X549E70MethylnoradrenalineNordephrine6539-57-7alpha-MethylnorepinephrineDioxynorepinephrine
Database identifiers
- CAS
6539-57-7- PubChem CID
- 3917
- DTXSID
DTXSID10859546- ChEMBL
CHEMBL764- ChEBI
CHEBI:81386- EC Number
- 229-452-9
- Nikkaji
- J8.423I
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Experimental & physicochemical properties
LogP
-1.43
-1.43
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 431.6 · 431.6±40.0 °C(Predicted)
- Density
- 1.328 · 1.328±0.06 g/cm3(Predicted)
- Melting point
- 220 °C · 220 °C (decomp)
- pka
- 9.59 · 9.59±0.10(Predicted)
- FDA UNII
- 81 X549E70 · R81X549E70
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs used to cause constriction of the blood vessels.
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Additional notes
DefinitionChEBI: Nordephrine is a catecholamine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…