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| CAS No.: | 770-05-8 |
|---|---|
| Name: | DL-Octopamine hydrochloride |
| Article Data: | 2 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H12ClNO2 |
| Molecular Weight: | 189.642 |
| Synonyms: | Epirenor;NSC 108685;Octopamine DL-form hydrochloride; |
| EINECS: | 212-216-4 |
| Density: | 1.39[at 20℃] |
| Melting Point: | 169-171 °C |
| Boiling Point: | 360.7 °C at 760 mmHg |
| Flash Point: | 172 °C |
| Solubility: | soluble in water |
| Appearance: | solid |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 36-37/39-26 |
| Transport Information: | UN 3249 |
| PSA: | 66.48000 |
| LogP: | 1.88660 |
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- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
| Conditions | Yield |
|---|---|
| at 28℃; Equilibrium constant; Thermodynamic data; association enthalpy: ΔH0 (kcal mol-1) = -2.6 (pH=1); -2.3 (pH=7); |
- 770-05-8
octopamine hydrochloride
- 145013-05-4
tert-butyl N-({[(tert-butoxy)carbonyl]amino}methanethioyl)carbamate
- 1037078-73-1, 1427086-29-0
C19H29N3O6
| Conditions | Yield |
|---|---|
| With triethylamine; mercury dichloride In DMF (N,N-dimethyl-formamide) | 99% |
- 24424-99-5
di-tert-butyl dicarbonate
- 770-05-8
octopamine hydrochloride
- 126395-31-1
tert-butyl (2-hydroxy-2-(4-hydroxyphenyl)ethyl)carbamate
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In methanol; water | 85% |
| With triethylamine In methanol at 20℃; | 80% |
| With sodium hydroxide In water; tert-butyl alcohol at 20℃; for 16h; | 56% |
- 770-05-8
octopamine hydrochloride
- 152120-54-2, 862686-58-6, 1143572-00-2
N,N'-bis( tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine
- 1037078-73-1
tert-butyl [(Z)-[(tert-butoxycarbonyl)amino]{[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino}methylidene]carbamate
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 1h; | 81.4% |
- 22509-74-6
N-ethoxycarbonylphthalimide
- 770-05-8
octopamine hydrochloride
| Conditions | Yield |
|---|---|
| With sodium carbonate In water | 81% |
- 770-05-8
octopamine hydrochloride
- 183583-61-1
4-O-(β-D-galactopyranosyl)-N-chloroacetyl-β-D-glucopyranosylamine
| Conditions | Yield |
|---|---|
| With triethylamine In methanol; dimethyl sulfoxide at 70℃; for 22h; Alkylation; | 79% |
- 770-05-8
octopamine hydrochloride
- 152120-54-2, 862686-58-6, 1143572-00-2
(Z)-tert-butyl (((tert-butoxycarbonyl)imino)(1H-pyrazol-1-yl)methyl)carbamate
- 1037078-73-1
tert-butyl [(Z)-[(tert-butoxycarbonyl)amino]{[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino}methylidene]carbamate
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 20℃; for 1h; | 73% |
| Conditions | Yield |
|---|---|
| With triethylamine In methanol at 20℃; for 3h; | 70.2% |
| Conditions | Yield |
|---|---|
| Stage #1: N-butoxycarbonyl-(L)-valine; octopamine hydrochloride With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; Stage #2: With pyridine; acetic anhydride at 100℃; for 1h; Further stages; | 69% |
- 770-05-8
octopamine hydrochloride
- 108-95-2
phenol
- 3516-08-3
4,4'-(2-amino-ethylidene)-di-phenol; hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In Dimethyl ether at 100℃; | 68% |
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Chemistry
Molecule structure of Octopamine DL-form hydrochloride (CAS NO.770-05-8):
IUPAC Name: 4-(2-Amino-1-hydroxyethyl)phenol hydrochloride
Molecular Weight: 189.63938 g/mol
Molecular Formula: C8H12ClNO2
Melting Point: ~170 °C (dec.)(lit.)
Flash Point: 172 °C
Enthalpy of Vaporization: 63.99 kJ/mol
Boiling Point: 360.7 °C at 760 mmHg
Vapour Pressure: 7.82E-06 mmHg at 25 °C
Water Solubility: soluble
H-Bond Donor: 4
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 189.055656
MonoIsotopic Mass: 189.055656
Topological Polar Surface Area: 66.5
Heavy Atom Count: 12
Canonical SMILES: C1=CC(=CC=C1C(CN)O)O.Cl
InChI: InChI=1S/C8H11NO2.ClH/c9-5-8(11)6-1-3-7(10)4-2-6;/h1-4,8,10-11H,5,9H2;1H
InChIKey: PUMZXCBVHLCWQG-UHFFFAOYSA-N
EINECS: 212-216-4
Product Categories: Miscellaneous Natural Products; Adrenoceptor
Safety Profile
Hazard Codes: 
Xn, 
Xi
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 36-37/39-26
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 3249
WGK Germany: 3
HazardClass: 6.1(b)
PackingGroup: III
Specification
Octopamine DL-form hydrochloride (CAS NO.770-05-8) is also named as D,L-Octopamine hydrochloride ; Octopamine DL-form HCl ; DL-alpha-(Aminomethyl)-p-hydroxybenzylic alcohol hydrochloride ; 4-(2-amino-1-hydroxyethyl)phenol hydrochloride ; 4-(2-Amino-1-hydroxyethyl)phenol hydrochloride (1:1) ; benzenemethanol, alpha-(aminomethyl)-4-hydroxy-, hydrochloride (1:1) . Octopamine DL-form hydrochloride (CAS NO.770-05-8) is white or off-white solid.