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trans-4-Aminocyclohexanol - Reagent Grade, high purity , CAS No.27489-62-9
Basic Description
Synonyms
AM20070555 | EC 248-492-8 | F0001-0886 | J-514424 | trans-4-Hydroxycyclohexylamine | trans-4-hydroxy-cyclohexylamine | A-ol | BP-30237 | AMY6164 | Cyclohexanol,4-amino-,trans- | FT-0689579 | IMLXLGZJLAOKJN-UHFFFAOYSA-N | NSC772497 | NSC-772497 | SB37075 |
Specifications & Purity
Reagent grade
Grade
Reagent Grade
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
Cyclohexylamines Cyclic alcohols and derivatives Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Cyclohexylamine - Cyclohexanol - Cyclic alcohol - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - 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-aminocyclohexan-1-ol
INCHI
InChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2
InChIKey
IMLXLGZJLAOKJN-UHFFFAOYSA-N
Smiles
C1CC(CCC1N)O
Isomeric SMILES
C1CC(CCC1N)O
Molecular Weight
115.18
Reaxy-Rn
2801659
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2801659&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
127 °C/14 mmHg
Melt Point(°C)
110-113°C
Molecular Weight
115.170 g/mol
XLogP3
-0.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
115.1 Da
Monoisotopic Mass
115.1 Da
Topological Polar Surface Area
46.300 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
66.900
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
Citations of This Product
1.
Yue Jiang, Shuai Wang, Weifu Dong, Tatsuo Kaneko, Mingqing Chen, Dongjian Shi.
(2023)
High-Strength, Degradable and Recyclable Epoxy Resin Based on Imine Bonds for Its Carbon-Fiber-Reinforced Composites. Materials,
16
(4):
(1604).
2.
Zhuoer E. Cai, Xiu-Ni Hua, Xian Shi, Xiang Zhang, Yinan N. Zhang, Jian Chen, Xinyi Y. Zhang, Shiyue Y. Xiao, Baiwang W. Sun.
(2024)
Enhancing Phase Transition Temperature in Novel Crown Inclusion Materials through Anion-Substitution Engineering. ChemistrySelect,
9
(1):
(e202303510).
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2 Citations