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trans-3-(boc-aminomethyl)cyclobutanol - 97%, high purity
Basic Description
Synonyms
tert-Butyl ((3-hydroxycyclobutyl)methyl)carbamate | 167081-41-6 | cis-3-(Boc-Aminomethyl)cyclobutanol | 917827-92-0 | 952029-48-0 | TRANS-3-(BOC-AMINOMETHYL)CYCLOBUTANOL | tert-butyl N-[(3-hydroxycyclobutyl)methyl]carbamate | tert-Butyl ((cis-3-hydroxycyclobutyl)methyl
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Carbamic acids and derivatives
Direct Parent
Carbamate esters
Alternative Parents
Secondary alcohols Organic carbonic acids and derivatives Cyclic alcohols and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Carbamic acid ester - Secondary alcohol - Carbonic acid derivative - Cyclobutanol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
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 N-[(3-hydroxycyclobutyl)methyl]carbamate
INCHI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-7-4-8(12)5-7/h7-8,12H,4-6H2,1-3H3,(H,11,13)
InChIKey
PXNMQSMWUFXYNE-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)NCC1CC(C1)O
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
201.260 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
201.136 Da
Monoisotopic Mass
201.136 Da
Topological Polar Surface Area
58.600 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
204.000
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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