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2-Ethylpyrrolidine
CAS:
1003-28-7
MW:
99.17
MF:
C6H13N
 
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Names and ldentifier
Properties
NMR Spectrum
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
2-Ethylpyrrolidine
1.2 Synonyms
|A-Ethylpyrrolidine; 2-Aethyl-pyrrolidin; 2-Ethyl-pyrrolidin; 2-Ethyl-pyrrolidine; 2-Ethylpyrrolidine hydrochloride; 2-ethylpyrrolidine(SALTDATA: FREE); alpha-Ethylpyrrolidine; Pyrrolidine, 2-ethyl-; Pyrrolidine,2-ethyl;
1.3 CAS No.
1003-28-7
1.4 CID
4993465
1.5 Molecular Formula
C6H13N
1.6 Inchi
InChI=1S/C6H13N/c1-2-6-4-3-5-7-6/h6-7H,2-5H2,1H3
1.7 InChkey
JFZLDRUSMYBXRI-UHFFFAOYSA-N
1.8 Canonical Smiles
CCC1CCCN1
1.9 Isomers Smiles
CCC1CCCN1
2. Properties
2.1 Solubility
溶解 (37 g/L) (25 oC),
2.2 pKa
10.93±0.10(Predicted)
3. NMR Spectrum
13C NMR : Predict
1H NMR : Predict
4. Synthesis Route
1003-28-7
Total: 13 Synthesis Route
111-26-2
53 Suppliers
1003-28-7
4 Suppliers
928-92-7
23 Suppliers
1003-28-7
4 Suppliers
View all
5. Precursor and Product
precursor:
6055-52-3
97663-64-4
51323-68-3
1551-06-0
55108-01-5
25143-95-7
1192-29-6
111-26-2
928-92-7
6. Computed Properties
Molecular Weight:
99.17g/mol
Molecular Formula:
C
6
H
13
N
Compound Is Canonicalized:
True
Exact Mass:
1.2
XLogP3-AA:
99.104799419
Monoisotopic Mass:
99.104799419
Complexity:
52.1
Rotatable Bond Count:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Topological Polar Surface Area:
12
Heavy Atom Count::
7
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADccBiAAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHAAQAAAACCjBAAQCAALAAAAAAAAAAAAAAAAAAAAAAIAIAAAAAAIAgAAEAAAAEACAAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Toltal 3 Suppliers
View more
Lanzhou boc chemical Co., Ltd
Tel:
Update Time:
2013/07/03
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Gainbiotech, LLC
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Update Time:
2022/01/01
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Abblis Chemicals LLC
Tel:
Update Time:
2022/01/01
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8. Realated Product Infomation
N-ETHYLPYRROLIDINE
cas:7335-06-0
2-(Aminomethyl)-1-ethylpyrrolidine
cas:26116-12-1
(R)-2-ethylpyrrolidine hydrochloride
cas:460748-80-5
(S)-2-(Aminomethyl)-1-ethylpyrrolidine
cas:22795-99-9
(R)-(+)-2-AMINOMETHYL-1-ETHYLPYRROLIDINE
cas:22795-97-7
METHYL 1-ETHYLPYRROLIDINE-2-CARBOXYLATE
cas:107599-40-6
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2. Properties
2.1 Solubility
2.2 pKa
3.
NMR Spectrum
4.
Synthesis Route
5.
Precursor and Product
6.
Computational chemical data
7.
Toltal 3 Suppliers
8.
Realated Product Infomation
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