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trans-4-(boc-aminomethyl)cyclohexylamine - 97%, high purity , CAS No.192323-07-2
Basic Description
Synonyms
AB6508 | BCP24627 | J-012431 | trans-(4-amino-cyclohexylmethyl)-carbamic acid tert-butyl ester | 4-(Boc-aminomethyl)-cyclohexylamine | AS-34583 | Hydrogen cyanide, anhydrous, stabilized, absorbed in a porous inert material | AKOS016009322 | AMY11827 | PB2
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Cyclohexylamines
Intermediate Tree Nodes
Not available
Direct Parent
Cyclohexylamines
Alternative Parents
Carbamate esters Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Cyclohexylamine - Carbamic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an 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
tert-butyl N-[(4-aminocyclohexyl)methyl]carbamate
INCHI
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKey
HMMYZMWDTDJTRR-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)NCC1CCC(CC1)N
Isomeric SMILES
CC(C)(C)OC(=O)NCC1CCC(CC1)N
Molecular Weight
228.336
Reaxy-Rn
14731424
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14731424&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
228.330 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
228.184 Da
Monoisotopic Mass
228.184 Da
Topological Polar Surface Area
64.400 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
228.000
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
1
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