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| CAS No.: | 136030-00-7 |
|---|---|
| Name: | (1R,2S)-1-Amino-2-indanol |
| Article Data: | 74 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H11NO |
| Molecular Weight: | 149.192 |
| Synonyms: | 1H-Inden-2-ol,1-amino-2,3-dihydro-, (1R-cis)-;((1R,2S)-2-Hydroxyindan-1-yl)amine;(+)-cis-1-Amino-2-indanol;(1R,2S)-(+)-1-Amino-2-indanol;(1R,2S)-1-Amino-2,3-dihydro-1H-inden-2-ol;1H-Inden-2-ol,1-amino-2,3-dihydro-, (1R,2S)-;(1R,2S)-cis-1-Amino-2-indanol;cis-(1R,2S)-1-Amino-2-indanol; |
| EINECS: | 603-940-5 |
| Density: | 1.212 g/cm3 |
| Melting Point: | 118-121 °C(lit.) |
| Boiling Point: | 290 ºC at 760 mmHg |
| Flash Point: | 129.2 ºC |
| Solubility: | Soluble in water |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36-36/37/39 |
| PSA: | 46.25000 |
| LogP: | 1.30370 |
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Chemistry
The molecular structure of (1R,2S)-1-Amino-2-indanol (CAS NO.136030-00-7):
IUPAC Name: [(1R,2S)-2-Hydroxy-2,3-dihydro-1H-inden-1-yl]azanium
Molecular Weight: 149.19 g/mol
Molecular Formula: C9H11NO
Density: 1.212 g/cm3
Melting Point: 118-121 °C(lit.)
Boiling Point: 290.031 °C at 760 mmHg
Flash Point: 129.207 °C
Index of Refraction: 1.626
Molar Refractivity: 43.571 cm3
Molar Volume: 123.082 cm3
Surface Tension: 51.72 dyne/cm
Enthalpy of Vaporization: 55.908 kJ/mol
Vapour Pressure: 0.001 mmHg at 25 °C
Water Solubility: soluble
XLogP3-AA: 0.2
H-Bond Donor: 2
H-Bond Acceptor: 1
Exact Mass: 150.091889
MonoIsotopic Mass: 150.091889
Topological Polar Surface Area: 47.9
Heavy Atom Count: 11
Formal Charge: 1
Complexity: 149
Canonical SMILES: C1C(C(C2=CC=CC=C21)[NH3+])O
Isomeric SMILES: C1[C@@H]([C@@H](C2=CC=CC=C21)[NH3+])O
InChI: InChI=1S/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+/m0/s1
InChIKey: LOPKSXMQWBYUOI-DTWKUNHWSA-O
Product Categories: chiral; API intermediates; CHIRAL COMPOUNDS; Amino Alcohols (Chiral); Chiral Building Blocks; Synthetic Organic Chemistry; CHIRAL CHEMICALS
Uses
(1R,2S)-1-Amino-2-indanol (CAS NO.136030-00-7) is used as indinavir intermediate.
Safety Profile
Hazard Codes: 
Xi, 
Xn
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
(1R,2S)-1-Amino-2-indanol (CAS NO.136030-00-7) is also named as (1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol ; (1S,2R)-1-Aminoindan-2-ol ; 1H-inden-2-ol, 1-amino-2,3-dihydro-, (1S,2R)- ; Cis-(1S,2R)-1-amino-2-indanol ; (1R,2S)-1-amino-2-hydroxyindane ; (1S,2R)-(-)-Cis-1-Amino-2-indanol ; (1S,2R)-(−)-cis-1-Amino-2-hydroxyindane ; (1S,2R)-(−)-cis-1-Amino-2-indanol ; (1S,2R)-1-Amino-indan-2-ol . (1R,2S)-1-Amino-2-indanol (CAS NO.136030-00-7) is white to light yellow crystal powder.