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3-Pyrrolidinol, 3-methyl-1-(phenylmethyl)- - 97%, high purity , CAS No.96567-93-0
Discover 3-Pyrrolidinol, 3-methyl-1-(phenylmethyl)- by Aladdin Scientific in 97% for only $584.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1-BENZYL-3-METHYLPYRROLIDIN-3-OL | 96567-93-0 | 3-Pyrrolidinol, 3-methyl-1-(phenylmethyl)- | 1-benzyl-3-methyl-pyrrolidin-3-ol | MFCD11100985 | SCHEMBL951796 | Benzyl-3-methyl-pyrrolidin-3-ol | DTXSID70595291 | SSWHTEXLCLEUBQ-UHFFFAOYSA-N | 1-Benzyl-3-Methylpyrrolidine-3-o
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylmethylamines
Alternative Parents
Benzylamines Aralkylamines N-alkylpyrrolidines Tertiary alcohols Trialkylamines 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpyrrolidine - Pyrrolidine - Tertiary alcohol - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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-benzyl-3-methylpyrrolidin-3-ol
INCHI
InChI=1S/C12H17NO/c1-12(14)7-8-13(10-12)9-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKey
SSWHTEXLCLEUBQ-UHFFFAOYSA-N
Smiles
CC1(CCN(C1)CC2=CC=CC=C2)O
Isomeric SMILES
CC1(CCN(C1)CC2=CC=CC=C2)O
PubChem CID
18629648
Molecular Weight
191.2695
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
191.270 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
191.131 Da
Monoisotopic Mass
191.131 Da
Topological Polar Surface Area
23.500 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
189.000
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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