Basic information
- CAS
97-31-4- Standard SMILES
COc1cc(C(O)CN)ccc1O- InChIKey
YNYAYWLBAHXHLL-UHFFFAOYSA-N- Molecular formula
- C9H13NO3
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.08954328
Overview
Normetanephrine is a catecholamine.
Names & identifiers
- Preferred name
- (+-)-Normetanephrine
- IUPAC
- 4-(2-amino-1-hydroxyethyl)-2-methoxyphenol
- English name
- dl Normetanephrine
- Molecular formula
- C9H13NO3
- Molecular weight
- 183.21
Names & synonyms
NORMETANEPHRINE97-31-4Normetadrenaline3-Methoxynoradrenaline3 MethoxynoradrenalineDTXSID708617010J45DE6B88Benzenemethanol, alpha-(aminomethyl)-4-hydroxy-3-methoxy-(+-)-NormetanephrineRefChem:390761DTXCID208105874-(2-Amino-1-hydroxyethyl)-2-methoxyphenol
Show more names
Normetadrenalin(-Normetanephrinem-O-Methylnorepinephrinea-(Aminomethyl)-vanillyl Alcohol3-Methoxy-4,b-dihydroxyphenylethylamine4-(2-amino-1-hydroxy-ethyl)-2-methoxy-phenol4-Hydroxy-3-methoxy-α-(aminomethyl)benzenemethanola-(Aminomethyl)-4-hydroxy-3-methoxy-benzenemethanol
(+/-)-Normetanephrinedl-Normetanephrine3-O-methylnoradrenaline3-O-methylnorepinephrineUNII-0J45DE6B88dl-N-NormetanephrineO-Methylnoradrenaline3-methoxy-Noradrenaline
Database identifiers
- CAS
97-31-4
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
LogP
-1.05
-1.05
Melting Point204 °C
Physical DescriptionSolid
Ionization Efficiency
Positive
1.54
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section
155 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
155.4 Ų [M+Na]+
Physicochemical properties
- Melting point
- 206 · HCl salt: 206-207, decomposition
- Boiling point
- 393.8 · 393.8±42.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- solubility
- Water (easy), ethanol (soluble)
- form
- Solid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Pharmacology
Tissue LocationsAdrenal Gland
Cellular LocationsCytoplasm
Metabolite PathwaysAlkaptonuria
Applications
UsesNormetanephrine is an endogenous metabolite present in Cerebrospinal_Fluid that can be used for the research of Hypertension[1][2].
Suppliers10 total
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
3 records
Compound notes
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