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Ethyl 3-amino-6-cyclopropylpicolinate

HCID 67299907
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
908833-43-2
Standard SMILES
CCOC(=O)c1nc(C2CC2)ccc1N
InChIKey
GJGOGRSEMGUCDS-UHFFFAOYSA-N
Molecular formula
C11H14N2O2
Average molar mass
206.24 g/mol
Monoisotopic mass
206.10552769

Names & identifiers

Preferred name
Ethyl 3-amino-6-cyclopropylpicolinate
IUPAC
ethyl 3-amino-6-cyclopropylpyridine-2-carboxylate
English name
ETHYL 3-AMINO-6-CYCLOPROPYLPICOLINATE
Molecular formula
C11H14N2O2
Molecular weight
206.24

Names & synonyms

Ethyl 3-amino-6-cyclopropylpicolinate908833-43-2ethyl 3-amino-6-cyclopropylpyridine-2-carboxylateMFCD18382756Ethyl3-amino-6-cyclopropylpicolinateSCHEMBL2159957DTXSID90736801GJGOGRSEMGUCDS-UHFFFAOYSA-NSB78147BS-49755SY418502DB-187363
Show more names
2-Pyridinecarboxylic acid, 3-amino-6-cyclopropyl-, ethyl ester
CS-0187406F626614ethyl 3-amino-6-cyclopropyl-pyridine-2-carboxylate3-amino-6-cyclopropylpyridine-2-carboxylic acid ethyl ester3-Amino-6-cyclopropyl-pyridine-2-carboxylic acid ethyl ester

Database identifiers

CAS
908833-43-2
PubChem CID
67299907
DTXSID
DTXSID90736801

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
65.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
241

Physicochemical properties

Boiling point
388.6 · 388.6±42.0 °C(Predicted)
Density
1.232 · 1.232±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka
2.93 · 2.93±0.10(Predicted)
Appearance
Light yellow to yellow Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-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
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers8 total

毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海途志化工有限公司19542790274 · [email protected]
陕西国槐硕海医药科技有限公司029-13279368192 13279368192 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]

Related reactions

8 records
New reaction record
HRID 467612 reaction equation
HRID 467612As productuspto-grants-2014_01
HRID 467613 reaction equation
HRID 467613As reactantuspto-grants-2014_01
HRID 1260290 reaction equation
HRID 1260290As productuspto-grants-2013_06
HRID 1260291 reaction equation
HRID 1260291As reactantuspto-grants-2013_06
HRID 2157026 reaction equation
HRID 2157026As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2316545 reaction equation
HRID 2316545As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)
HRID 2368209 reaction equation
HRID 2368209As productuspto-grants-2014_04
HRID 2368210 reaction equation
HRID 2368210As reactantuspto-grants-2014_04

Compound notes

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