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(1-Amino-cyclobutyl)-methanol , CAS No.180205-34-9
Discover (1-Amino-cyclobutyl)-methanol by Aladdin Scientific in for only $503.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
(1-aminocyclobutyl)methanol | 180205-34-9 | (1-amino-cyclobutyl)-methanol | 1-Aminocyclobutanemethanol | CYCLOBUTANEMETHANOL, 1-AMINO- | Cyclobutanemethanol,1-amino-(9CI) | MFCD11858293 | 1-AMINO-CYCLOBUTANEMETHANOL | SCHEMBL534445 | DTXSID60616404 | VRDXDROAZSDMSA-UHFFFAOYS
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Alkanolamines
Direct Parent
1,2-aminoalcohols
Alternative Parents
Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
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-aminocyclobutyl)methanol
INCHI
InChI=1S/C5H11NO/c6-5(4-7)2-1-3-5/h7H,1-4,6H2
InChIKey
VRDXDROAZSDMSA-UHFFFAOYSA-N
Smiles
C1CC(C1)(CO)N
Isomeric SMILES
C1CC(C1)(CO)N
Molecular Weight
101.15
Reaxy-Rn
13815052
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13815052&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
101.150 g/mol
XLogP3
-0.700
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
101.084 Da
Monoisotopic Mass
101.084 Da
Topological Polar Surface Area
46.300 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
68.500
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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