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4-(2-aminopropan-2-yl)-1-Boc-piperidine - 97%, high purity , CAS No.530116-33-7
Basic Description
Synonyms
530116-33-7 | 4-(2-aminopropan-2-yl)-1-Boc-piperidine | tert-butyl 4-(2-aminopropan-2-yl)piperidine-1-carboxylate | MFCD22034255 | 1-Boc-4-(2-amino-2-propyl)piperidine | SCHEMBL6402693 | AKOS022682524 | SB13020 | 1-Boc-4-(2-aminopropan-2-yl)piperidine | AS-52592 | SY099060 | C
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Piperidinecarboxylic acids
Alternative Parents
Carbamate esters Tertiary amines Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperidinecarboxylic acid - Carbamic acid ester - Tertiary amine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
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
tert-butyl 4-(2-aminopropan-2-yl)piperidine-1-carboxylate
INCHI
InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-8-6-10(7-9-15)13(4,5)14/h10H,6-9,14H2,1-5H3
InChIKey
FXUHDTBFKFLRFO-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCC(CC1)C(C)(C)N
Isomeric SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(C)(C)N
Molecular Weight
242.363
Reaxy-Rn
11228098
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11228098&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
242.360 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
242.199 Da
Monoisotopic Mass
242.199 Da
Topological Polar Surface Area
55.600 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
274.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
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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