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(3-Aminobicyclo[1.1.1]pentan-1-yl)methanol hydrochloride - 98%, high purity , CAS No.1980045-93-9
Basic Description
Synonyms
{3-AMINOBICYCLO[1.1.1]PENTAN-1-YLMETHANOL HYDROCHLORIDE | BS-44596 | EN300-37374055 | EN300-6478040 | (3-amino-1-bicyclo[1.1.1]pentanyl)methanol hydrochloride | Z3072941876 | (3-Amino-1-bicyclo[1.1.1]pentanyl)methanol HCl | (3-Aminobicyclo[1.1.1]pentan-1-
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Primary amines
Direct Parent
Monoalkylamines
Alternative Parents
Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives Alcohols and polyols
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine 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
(3-amino-1-bicyclo[1.1.1]pentanyl)methanol;hydrochloride
INCHI
InChI=1S/C6H11NO.ClH/c7-6-1-5(2-6,3-6)4-8;/h8H,1-4,7H2;1H
InChIKey
XUNIMIQTGGVJPR-UHFFFAOYSA-N
Smiles
C1C2(CC1(C2)N)CO.Cl
Isomeric SMILES
C1C2(CC1(C2)N)CO.Cl
Alternate CAS
1980045-93-9,1638767-26-6
Molecular Weight
149.62
Reaxy-Rn
35207353
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35207353&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
149.620 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
149.061 Da
Monoisotopic Mass
149.061 Da
Topological Polar Surface Area
46.300 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
113.000
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
2
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L2313074