Basic information
- CAS
365413-11-2- Standard SMILES
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)O)cn1- InChIKey
BTHATBXLAQILEJ-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.11100699
Names & identifiers
- Preferred name
- 6-((tert-Butoxycarbonyl)(methyl)amino)nicotinic acid
- IUPAC
- 6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-3-carboxylic acid
- English name
- 6-((tert-Butoxycarbonyl)(Methyl)aMino)nicotinic acid
- Molecular formula
- C12H16N2O4
- Molecular weight
- 252.27
Names & synonyms
365413-11-26-((tert-Butoxycarbonyl)(methyl)amino)nicotinic acid6-{[(tert-butoxy)carbonyl](methyl)amino}pyridine-3-carboxylic acid6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-3-carboxylic acidMFCD131935086-[[(TERT-BUTOXY)CARBONYL](METHYL)AMINO]PYRIDINE-3-CARBOXYLIC ACIDSCHEMBL6915016-((tert-Butoxycarbonyl)(methyl)amino)nicotinicacidDTXSID90735733BTHATBXLAQILEJ-UHFFFAOYSA-N6-[Boc-(methyl)amino]nicotinic AcidDA-31857
Show more names
SY457919CS-0272775H67270EN300-32471766-(tert-butoxycarbonyl-methyl-amino)-nicotinic acid6-[tert-butoxycarbonyl(methyl)amino]pyridine-3-carboxylic acid6-[(tert-Butoxycarbonyl)(methyl)amino]pyridine-3-carboxylic acid3-Pyridinecarboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]methylamino]-
Database identifiers
- CAS
365413-11-2- PubChem CID
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Boiling point
- 407.2 · 407.2±30.0 °C(Predicted)
- Density
- 1.244 · 1.244±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.42 · 4.42±0.22(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-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-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Suppliers4 total
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
2 records
Compound notes
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