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[3-amino-1-(hydroxymethyl)cyclobutyl]methanol - 97%, high purity , CAS No.1208989-40-5
Discover [3-amino-1-(hydroxymethyl)cyclobutyl]methanol by Aladdin Scientific in 97% for only $3,503.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1208989-40-5 | 3-AMINO-1,1-CYCLOBUTANEDIMETHANOL | (3-Aminocyclobutane-1,1-diyl)dimethanol | [3-AMINO-1-(HYDROXYMETHYL)CYCLOBUTYL]METHANOL | 3-AMino-1,1-cyclobutanedi... | (3-amino-1-(hydroxymethyl)cyclobutyl)methanol | SCHEMBL12037344 | DTXSID10717455 | MFCD19215730 | AKO
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Alcohols and polyols
Intermediate Tree Nodes
Not available
Direct Parent
Primary alcohols
Alternative Parents
Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
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
[3-amino-1-(hydroxymethyl)cyclobutyl]methanol
INCHI
InChI=1S/C6H13NO2/c7-5-1-6(2-5,3-8)4-9/h5,8-9H,1-4,7H2
InChIKey
ZGAVNCNNYZDUIW-UHFFFAOYSA-N
Smiles
C1C(CC1(CO)CO)N
Isomeric SMILES
C1C(CC1(CO)CO)N
Molecular Weight
131.175
Reaxy-Rn
20108240
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20108240&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
131.170 g/mol
XLogP3
-1.400
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
131.095 Da
Monoisotopic Mass
131.095 Da
Topological Polar Surface Area
66.500 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
93.200
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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