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771-91-5

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Basic Information
CAS No.: 771-91-5
Name: (1S,2S)-2-AMINO-1-(4-HYDROXYPHENYL)PROPANE-1-OL
Article Data: 4
Molecular Structure:
Molecular Structure of 771-91-5 ((1S,2S)-2-AMINO-1-(4-HYDROXYPHENYL)PROPANE-1-OL)
Formula: C9H13NO2
Molecular Weight: 167.208
Synonyms: Benzenemethanol,a-(1-aminoethyl)-4-hydroxy-,[R-(R*,S*)]-;Benzyl alcohol, a-(1-aminoethyl)-p-hydroxy-, (-)-erythro- (8CI);Norephedrine, p-hydroxy-(6CI);(-)-4-Hydroxynorephedrin;(-)-p-Hydroxynorephedrine;(1R,2S)-2-Amino-1-(4-hydroxyphenyl)propan-1-ol;p-Hydroxynorephedrine;
Density: 1.198g/cm3
Melting Point: 165-166 °C
Boiling Point: 357.9±27.0 °C(Predicted)
PSA: 66.48000
LogP: 1.47310
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Specification

The (-)-4-Hydroxynorephedrin with the cas number 771-91-5 is also called Benzenemethanol, a-[(1S)-1-aminoethyl]-4-hydroxy-,(aR)-. The IUPAC name is 4-[(1R,2S)-2-amino-1-hydroxypropyl]phenol. Its molecular formula is C9H13NO2. This chemical is a kind of organics. It should be stored in dry and cool environment.

Properties Computed from Structure: (1)XLogP3 0.5 ; (2)H-Bond Donor: 3; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 2; (5)Tautomer Count: 2; (6)Exact Mass: 167.094629; (7)MonoIsotopic Mass: 167.094629; (8)Topological Polar Surface Area: 66.5; (9)Heavy Atom Count: 12; (10)Formal Charge: 0; (11)Complexity: 133; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 2; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(C1=CC=C(C=C1)O)O)N
(2)InChI: InChI=1S/C9H13NO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,9,11-12H,10H2,
1H3/t6-,9-/m0/s1
(3)InChIKey: JAYBQRKXEFDRER-RCOVLWMOSA-N