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37577-28-9

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Basic Information
CAS No.: 37577-28-9
Name: D-(+)-Norephedrine
Article Data: 34
Molecular Structure:
Molecular Structure of 37577-28-9 (D-(+)-Norephedrine)
Formula: C9H13NO
Molecular Weight: 151.208
Synonyms: Benzenemethanol,a-(1-aminoethyl)-, [S-(R*,S*)]-;(+)-(1S,2R)-Norephedrine;(+)-Norephedrin;(+)-Norephedrine;(+)-Phenylpropanolamine;(1R,2S)-2-Hydroxy-2-phenyl-1-methyl-1-aminoethane;(1S,2R)-(+)-Norephedrine;(1S,2R)-2-Amino-1-phenyl-1-propanol;(1S,2R)-2-Amino-1-phenylpropanol;(1S,2R)-2-Methyl-1-phenyl-2-aminoethanol;(1S,2R)-Norephedrine;(2R,3S)-3-Phenyl-3-hydroxy-2-aminopropane;D-(+)-Norephedrine;d-Norephedrine;d-Phenylpropanolamine;
EINECS: 238-900-2
Density: 1.071g/cm3
Melting Point: 51-54 °C
Boiling Point: 288.1 °C at 760 mmHg
Flash Point: 128.1 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38
Safety: 26
PSA: 46.25000
LogP: 1.76750
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Specification

The D-(+)-Norephedrine with the CAS number 37577-28-9 is also called Benzenemethanol, a-[(1R)-1-aminoethyl]-, (aS)-. Both the systematic name and IUPAC name are (1S,2R)-2-amino-1-phenylpropan-1-ol. Its EINECS registry number is 37577-28-9. The molecular formula is C9H13NO. The product category is Pharmaceutical Intermediates.

The properties of the chemical are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.21; (4)ACD/LogD (pH 7.4): -1.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47Å2; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 45.46 cm3; (15)Molar Volume: 141 cm3; (16)Polarizability: 18.02×10-24cm3; (17)Surface Tension: 45 dyne/cm; (18)Enthalpy of Vaporization: 55.7 kJ/mol; (19)Vapour Pressure: 0.0011 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H](c1ccccc1)[C@H](N)C
(2)InChI: InChI=1/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1
(3)InChIKey: DLNKOYKMWOXYQA-VXNVDRBHBW