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(cis)-4-amino-4-methylcyclohexan-1-ol hydrochloride - 97%, high purity , CAS No.923598-04-3
Discover (cis)-4-amino-4-methylcyclohexan-1-ol hydrochloride by Aladdin Scientific in 97% for only $2,721.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
trans-4-Amino-4-methylcyclohexanol hydrochloride | 1447955-52-3 | 923598-04-3 | cis-4-Amino-4-methylcyclohexanol hydrochloride | 1965309-32-3 | 4-Amino-4-methyl-cyclohexanol hydrochloride | (cis)-4-amino-4-methylcyclohexan-1-ol hydrochloride | (cis)-4-Amino-4-methylcyc
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
Secondary alcohols
Direct Parent
Cyclohexanols
Alternative Parents
Cyclic alcohols and derivatives Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Cyclohexanol - Cyclic alcohol - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Primary aliphatic amine - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
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
4-amino-4-methylcyclohexan-1-ol;hydrochloride
INCHI
InChI=1S/C7H15NO.ClH/c1-7(8)4-2-6(9)3-5-7;/h6,9H,2-5,8H2,1H3;1H
InChIKey
OJTUFPOPBVLWSY-UHFFFAOYSA-N
Smiles
CC1(CCC(CC1)O)N.Cl
Isomeric SMILES
CC1(CCC(CC1)O)N.Cl
Molecular Weight
165.661
Reaxy-Rn
15437144
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15437144&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
165.660 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
165.092 Da
Monoisotopic Mass
165.092 Da
Topological Polar Surface Area
46.300 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
95.100
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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