Basic information
- CAS
66504-75-4- Standard SMILES
Cc1ccc(C23CNCC2C3)cc1.Cl- InChIKey
OTZOPAFTLUOBOM-UHFFFAOYSA-N- Molecular formula
- C12H16ClN
- Average molar mass
- 209.71 g/mol
- Monoisotopic mass
- 209.0971272
Overview
See also: Bicifadine Hydrochloride (annotation moved to).
Names & identifiers
- Preferred name
- 1-(4-Methylphenyl)-3-azabicyclo[3.1.0]hexane hydrochloride
- IUPAC
- 1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
- English name
- BICIFADINE
- Molecular formula
- C12H15N
- Molecular weight
- 173.258
Names & synonyms
1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride1-(p-tolyl)-3-azabicyclo[3.1.0]hexane hydrochlorideBicifadine hydrochloride [USAN]UNII-OE6G20P68T(+-)-1-p-Tolyl-3-azabicyclo(3.1.0)hexane hydrochloride1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane hydrochlorideBicifadine hydrochloride (USAN)3-Azabicyclo(3.1.0)hexane, 1-(4-methylphenyl)-, hydrochloride, (+-)-1-(4-Methylphenyl)-3-azabicyclo[3.1.0]hexane Hydrochloride; (+/-)-1-(4-Methylphenyl)-3-azabicyclo[3.1.0]hexane Hydrochloride; CL 220075; MCV 4147; NIH 9542;SCHEMBL121607CHEMBL544862orb1704661
Show more names
NIH 9542MCV 4147CL 220075Bicifadine HCl1-(4-methylphenyl)-, hydrochloride
DTXSID20985128OTZOPAFTLUOBOM-UHFFFAOYSA-NGLXC-22419DOV220075EX-A15277HB1787AKOS024458114AT33555
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 157 · 157-164C
- storage temp.
- Refrigerator
- solubility
- 100 mM · Soluble to 100 mM in water and to 100 mM in DMSO
- form
- Powder
- FDA UNII
- 6 G20P68T · OE6G20P68T
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesA novel non-narcotic analgesic drug
Suppliers16 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
凯试（上海）科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
BOC Sciences[email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
青岛浩海安杰医药科技有限公司156-6622-8711 18639325623 · [email protected]
Related reactions
1 records
Compound notes
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