Basic information
- CAS
126456-43-7- Standard SMILES
N[C@H]1c2ccccc2C[C@H]1O- InChIKey
LOPKSXMQWBYUOI-BDAKNGLRSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- (1S,2R)-(-)-1-Amino-2-indanol
- IUPAC
- (1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol
- English name
- (1S,2R)-(-)-cis-1-Amino-2-indanol
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
126456-43-7(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol(1S,2R)-(-)-cis-1-Amino-2-indanol(1S,2R)-(-)-1-Amino-2-indanol(1s,2r)-cis-1-amino-2-indanolcis-(1s,2r)-1-amino-2-indanol(-)-cis-1-aminoindan-2-ol2(R)-hydroxy-1(S)-aminoindane1-Amino-2-indanol, cis-(-)-(1S-Cis)-1-amino-2-indanolUNII-LU3GK925A8LU3GK925A8
Show more names
(1S,2R)-1-AMINO-2-INDANOL3aR(1S(1S,2R) -(−(1S,2R)-(-)-1-amino-2-ol(1S,2R)-1-Aminoindan-2-o
(1S,2R)-1-Amino-2,3-dihydro-1-inden-2-ol(2R-Cis)-1-amino-2,3-dihydro-1H-inden-2-ol((1S,2R)-2-Hydroxy-2,3-dihydro-1H-inden-1-yl)amineIndinavir sulfate specified impurity A [EP]DTXSID10155191INDINAVIR SULFATE IMPURITY A [EP IMPURITY]INDINAVIR SULFATE IMPURITY A (EP IMPURITY)Indinavir sulfate impurity, cis-aminoindanol-(USP)
Database identifiers
- CAS
126456-43-7、7480-35-5- PubChem CID
- 9866743
- UNII
- LU3GK925A8
- EC Number
- 422-660-2、603-144-8
- Nikkaji
- J655.021E
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 118 · 118-121 °C(lit.)
- alpha
- -62 · -62 º (c=0.5, CHCl3)
- Boiling point
- 270.27 °C · 270.27°C (rough estimate)
- Density
- 1.0753 · 1.0753 (rough estimate)
- refractive index
- 1.576 · 1.5760 (estimate)
- RTECS
- 7525500 · NK7525500
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- form
- Powder
- pka
- 14.79 · 14.79±0.40(Predicted)
- color
- White to light beige
- optical activity
- 20 · [α]20/D 61°, c = 0.5 in chloroform
- Water Solubility
- slightly soluble
- Sensitive
- Air Sensitive
- BRN
- 4292559 · 4292559
- InChI
- 1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/t8-,9+/m1/s1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-23
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- No
- ridadr
- 3259
- hs_code
- 29052900
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1S,2R)-(-)-cis-1-Amino-2-indanol may be used to prepare:(-)-1,2,5,6-Tetrahydropyridine by reacting with methyl (E,E)-4-oxo-2-[(2,6,6-trimethylcyclohex-1-enyl)vinyl}but-2-enoate.Oxazaborolidine catalysts, which can catalyze the asymmetric reduction of aromatic ketones with high enantioselectivity.(RS,1S,2R)-(-)-2,4,6-Trimethylbenzenesulfinic acid 1-(2,4,6-trimethylbenzenesulfonylamino)indan-2-yl ester.
Uses(1S,2R)-(-)-cis-1-Amino-2-indanol is used as a reagent in the synthesis of heterocyclic compounds as integrase inhibiting antiviral agents. It is also a key intermediate of the HIV protease inhibitor, Indinavir (I525000).
General Description(1S,2R)-(-)-cis-1-Amino-2-indanol is a main constituent of indinavir, a potent HIV (human immunodeficiency virus) protease inhibitor.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
104 records
Compound notes
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