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1-Ethyl-3-pyrrolidinol - >95.0%(GC), high purity , CAS No.30727-14-1
Basic Description
Synonyms
EN300-1247678 | EINECS 250-310-7 | N-Ethyl-3-pyrrolidinol | DTXSID001314369 | 5-21-01-00016 (Beilstein Handbook Reference) | AKOS009156704 | AMY31539 | BCP11284 | MFCD00003179 | E0425 | J-018084 | 1-Ethyl-3-pyrrolidinol, 97% | WLN: T5NTJ A2 CQ | BRN 01029
Specifications & Purity
>95.0%(GC)
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
N-alkylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
N-alkylpyrrolidines
Alternative Parents
Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
N-alkylpyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
1-ethylpyrrolidin-3-ol
INCHI
InChI=1S/C6H13NO/c1-2-7-4-3-6(8)5-7/h6,8H,2-5H2,1H3
InChIKey
IDBNECMSCRAUNU-UHFFFAOYSA-N
Smiles
CCN1CCC(C1)O
Isomeric SMILES
CCN1CCC(C1)O
WGK Germany
3
RTECS
UY5685500
PubChem CID
98203
Molecular Weight
115.17
Beilstein
21(3/4)5
Reaxy-Rn
102963
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive
Refractive Index
1.47
Flash Point(°F)
165.2 °F
Flash Point(°C)
74 °C
Boil Point(°C)
110 °C/35 mmHg
Molecular Weight
115.170 g/mol
XLogP3
0.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
115.1 Da
Monoisotopic Mass
115.1 Da
Topological Polar Surface Area
23.500 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
74.900
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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K2207073
