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1H-Inden-2-ol,1-amino-2,3-dihydro-, (1S,2R)-(CAS No. 126456-43-7)

1H-Inden-2-ol,1-amino-2,3-dihydro-, (1S,2R)- C9H11NO (cas 126456-43-7) Molecular Structure

126456-43-7 Structure

Identification and Related Records

【Name】
1H-Inden-2-ol,1-amino-2,3-dihydro-, (1S,2R)-
【Iupac name】
[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium
【CAS Registry number】
126456-43-7
【Synonyms】
1H-Inden-2-ol,1-amino-2,3-dihydro-, (1S-cis)-
(-)-cis-1-Aminoindan-2-ol
(1S)-Amino-(2R)-indanol
(1S,2R)-(-)-1-Amino-2-indanol
(1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol
(1S,2R)-1-Aminoindan-2-ol
(1S-cis)-1-Amino-2-indanol
(2R-cis)-1-Amino-2,3-dihydro-1H-inden-2-ol
2(R)-Hydroxy-1(S)-aminoindane
[(1S,2R)-2-Hydroxy-2,3-dihydro-1H-inden-1-yl]amine
(1S,2R)-(+)-cis-1-Aminoindan-2-ol
【Molecular Formula】
C9H11NO (Products with the same molecular formula)
【Molecular Weight】
149.19
【Inchi】
InChI=1/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/p+1/t8-,9+/m1/s1
【Canonical SMILES】
C1C(C(C2=CC=CC=C21)[NH3+])O
【Isomers smiles】
C1[C@H]([C@H](C2=CC=CC=C21)[NH3+])O
【MOL File】
126456-43-7.mol

Chemical and Physical Properties

【Appearance】
white to light yellow crystal powder
【Density】
1.212 g/cm3
【Melting Point】
117-121℃
【Boiling Point】
290.031 °C at 760 mmHg
【Vapour】
0.001mmHg at 25°C
【Flash Point】
129.207 °C
【Alpha】
-62 o (C=0.5, CHCL3)
【Water】
slightly soluble
【Solubilities】
slightly soluble
【Computed Properties】
Molecular Weight:150.19768 [g/mol]
Molecular Formula:C9H12NO+
XLogP3-AA:0.2
H-Bond Donor:2
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:150.091889
MonoIsotopic Mass:150.091889
Topological Polar Surface Area:47.9
Heavy Atom Count:11
Formal Charge:1
Complexity:149
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0.6
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R20/21/22;R36/37/38
【Safety Statements 】
S26;S36/37/39
【Safety】

Hazard Codes:?IrritantXi,HarmfulXn
Risk Statements: 36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.?
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
F: 10-23

【Specification】

?1H-Inden-2-ol,1-amino-2,3-dihydro-, (1S,2R)- , with CAS number of 126456-43-7, can be called (1S,2R)-(-)-Cis-1-amino-2-hydroxyindane ; (1s,2r)-(-)-cis-1-amino-2-indanol ; (1s,2r)-cis-1-amino-2-indanol ; (1s,2r)-(-)-cis-1-aminoindan-2-ol ; (1s,2r)-(+)-cis-1-aminoindan-2-ol ; (1s,2r)-1-amino-2,3-dihydro-1h-inden-2-ol ; (1s,2r)-(-)-1-amino-2-hydroxyindan ; (1s,2r)-1-amino-2-hydroxyindane . It is a white to light yellow crystal powder.

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