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2-Ethylpyrrolidine

HCID 4993465
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1003-28-7
Standard SMILES
CCC1CCCN1
InChIKey
JFZLDRUSMYBXRI-UHFFFAOYSA-N
Molecular formula
C6H13N
Average molar mass
99.17 g/mol
Monoisotopic mass
99.10479942

Names & identifiers

Preferred name
2-Ethylpyrrolidine
IUPAC
2-ethylpyrrolidine
English name
2-Ethylpyrrolidine
Molecular formula
C6H13N
Molecular weight
99.17

Names & synonyms

2-ethylpyrrolidine1003-28-7DTXSID20407335RefChem:1063090DTXCID30358187Pyrrolidine, 2-ethyl-MFCD026634132-Ethylpyrrolidine HClPyrrolidine, 2-ethylSCHEMBL198759SCHEMBL294041SCHEMBL398149
Show more names
2-Ethylpyrrolidine hydrochloridealpha-Ethylpyrrolidine2-ethylpyrrolidine(SALTDATA: FREE)
SCHEMBL512365SCHEMBL1604499SCHEMBL10345465ALBB-014922AKOS000155299AKOS016343918AB12042SB44685

Database identifiers

CAS
1003-28-7
PubChem CID
4993465
DTXSID
DTXSID20407335
Nikkaji
J1.680.641B

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
7
Formal charge
0
Complexity
52.1

Physicochemical properties

Melting point
119 · 119-123℃
Boiling point
122.4 ℃ · 122.4℃ (744 Torr)
Density
0.844 g/cm3 · 0.844 g/cm3(Temp: 15 °C)
refractive index
1.4442 · 1.4442 (589.3 nm 15℃)
pka
10.93 · 10.93±0.10(Predicted)
HazardClass
IRRITANT

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

hazard_class
IRRITANT

Chemistry & industry

Applications

Uses2-Ethylpyrrolidine Hydrochloride is used as a reagent in the synthesis of C-4” position substituted macrolide derivatives as antibacterial agents against erythromcyn-resistant bacteria.

Suppliers17 total

Syntechem Co.,Ltd[email protected]
海济医药科技(苏州)有限公司18012778619 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
广州喜嘉新材料有限公司02082180286 13650882421 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]

Related reactions

6 records
New reaction record
HRID 157908 reaction equation
HRID 157908As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 306667 reaction equation
HRID 306667As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 451040 reaction equation
HRID 451040As reactantuspto-grants-2013_07
HRID 475754 reaction equation
HRID 475754As reactantuspto-grants-2014_01
HRID 1755340 reaction equation
HRID 1755340As reactantuspto-grants-2015_10
HRID 2370120 reaction equation
HRID 2370120As reactantuspto-grants-2014_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
苏州海犇药业有限公司18012778619
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]