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Basic information
- CAS
148760-75-2- Standard SMILES
CC(C)(C)OC(=O)n1ccc2cnccc21- InChIKey
PKYJYPDHSCLTJO-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Names & identifiers
- Preferred name
- tert-Butyl 1H-pyrrolo(3,2-c)pyridine-1-carboxylate
- IUPAC
- tert-butyl pyrrolo[3,2-c]pyridine-1-carboxylate
- English name
- 1-Boc-1H-pyrrolo[3,2-c]pyridine
- Molecular formula
- C12H14N2O2
- Molecular weight
- 218.25
Names & synonyms
148760-75-2tert-Butyl 1H-pyrrolo[3,2-c]pyridine-1-carboxylateDTXSID90601949tert-Butyl 1H-pyrrolo(3,2-c)pyridine-1-carboxylateRefChem:1099504DTXCID505527061-Boc-1H-pyrrolo[3,2-c]pyridineMFCD11976180TERT-BUTYL PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE1H-Pyrrolo[3,2-c]pyridine-1-carboxylic acid, 1,1-dimethylethyl estertert-butyl1H-pyrrolo[3,2-c]pyridine-1-carboxylateSCHEMBL2722942
Show more names
1-Boc-pyrrolo[3,2-c]pyridine, 95%1H-Pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester
PKYJYPDHSCLTJO-UHFFFAOYSA-Ntert-butyl1H-pyrrolo[3,2-c]pyrYFA76075AKOS015902842DS-2682SY014866CS-0154783EN300-217431
Database identifiers
- CAS
148760-75-2- PubChem CID
- 20042876
- DTXSID
DTXSID90601949- Nikkaji
- J981.296B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Boiling point
- 339.3 · 339.3±34.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.02 · 7.02±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers36 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Aladdin Scientific[email protected]
Wuhan Konberd Biotech Co., Ltd+undefined-18986093962 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州科化生物科技有限公司
Related reactions
6 records
Compound notes
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