(3R)-2-tert-butoxycarbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
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Basic information
- CAS
123910-26-9- Standard SMILES
CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)[O-]- InChIKey
FHEPEWKHTOVVAT-CQSZACIVSA-M- Molecular formula
- C17H19N2O4-
- Average molar mass
- 315.34 g/mol
- Monoisotopic mass
- 315.13448209
Names & identifiers
- Preferred name
- (3R)-2-tert-butoxycarbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
- IUPAC
- (3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
- English name
- BOC-D-1,2,3,4-TETRAHYDRONORHARMAN-3-CARBOXYLIC ACID
- Molecular formula
- C17H20N2O4
- Molecular weight
- 316.35
Names & synonyms
DTXSID40924635AKOS032947984(3R)-2-(tert-Butoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate(3R)-2-tert-butoxycarbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate2-(tert-Butoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylateBOC-D-1BOC-D-TPIN-BOC-D-1Boc-D-CarLBoc-D-Tπ-OH(R)-2-BOC-1BOC-D-TPI-OH
Show more names
BOC-D-THNH(3)-OHRARECHEM BK PT 00869-TETRAHYDRO-B-CARBOLINE-2
Database identifiers
- CAS
123910-26-9- PubChem CID
- 6978745
- DTXSID
DTXSID40924635
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- -1
- Complexity
- 482
Physicochemical properties
- Boiling point
- 525.6 · 525.6±50.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- pka
- 3.98 · 3.98±0.20(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- -88.17 ° · -88.17°(C=0.01g/ml DMF)
- CAS DataBase Reference
- 123910 · 123910-26-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Safety Statements
- 24 · 24/25-S24/25
- HazardClass
- IRRITANT
- HS Code
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
- hs_code
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-S24/25
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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