Dicyclohexylamine - analytical standard, ≥99.5%(GC) , CAS No.101-83-7

CAS: 101-83-7 Cat. No.: D106393 Molecular Weight: 181.32 Beilstein Registry Number: 605923 EC Number: 202-980-7

GRADE & PURITY Analytical standard, ≥99.5%(GC)

Synonyms

UNII-1A93RJW924 | FT-0624742 | BIDD:ER0258 | Dicyclohexylamine, 99% | STR04129 | Tox21_111044 | N,N-DICYCLOHXYL-AMINE | Dicyclohexylamine [UN2565] [Corrosive] | EINECS 202-980-7 | InChI=1/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H | NCGC00

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

UNII-1A93RJW924 | FT-0624742 | BIDD:ER0258 | Dicyclohexylamine, 99% | STR04129 | Tox21_111044 | N, N-DICYCLOHXYL-AMINE | Dicyclohexylamine [UN2565] [Corrosive] | EINECS 202-980-7 | InChI=1/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H, 1-10H | NCGC00

Specifications & Purity

analytical standard, ≥99.5%(GC)

Storage

Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Purity

≥99.5%(GC)

Names and Identifiers

• Canonical Smiles: C1CCC(CC1)NC2CCCCC2
• IUPAC Name: N-cyclohexylcyclohexanamine
• InChIKey: XBPCUCUWBYBCDP-UHFFFAOYSA-N
• INCHI: 1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
• Isomeric SMILES: C1CCC(CC1)NC2CCCCC2
• WGK Germany: 2
• RTECS: HY4025000
• UN Number: 2565
• Packing Group: III
• Molecular Weight: 181.32
• Beilstein: 605923
• Reaxy-Rn: 605923
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605923&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Secondary amine - Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - 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: primary aliphatic amine

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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

Discover Target: NFKB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in water, miscible with ethanol, ether, and benzene.
• Refractive Index: 1.484
• Flash Point(°F): 204.8℉
• Flash Point(°C): 96°C
• Boil Point(°C): 117-120°C
• Melt Point(°C): -2°C
• Molecular Weight: 181.320 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 181.183 Da
• Monoisotopic Mass: 181.183 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 116.000
• 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

References

1. Zhenhua Tian, Jianzhong Ma, Qiwu Liu, Hui Zhang.  (2022)  Preparation and application of novel amphoteric acrylic retanning agents to improve dye absorption.  Reaction Chemistry & Engineering,  8  (3): (645-655).  [PMID:] [10.1039/D2RE00221C]

2. Ruijuan Duan, Meiling Qi.  (2022)  Separation performance of pentiptycene-functionalized triblock copolymers towards the isomers of xylenes, phenols and anilines and the complex components in essential oil.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35278809] [10.1016/j.chroma.2022.462927]

3. Xue Xiong, Meiling Qi.  (2020)  A novel column fabrication approach for capillary gas chromatography via a cross-linked organogel network with high stability and inertness.  NEW JOURNAL OF CHEMISTRY,  44  (25): (10621-10627).  [PMID:] [10.1039/D0NJ02185G]

4. Xue Xiong, Meiling Qi.  (2019)  Adenine-functionalized polypropylene glycol: A novel stationary phase for gas chromatography offering good inertness for acids and bases combined with a unique selectivity.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:31668867] [10.1016/j.chroma.2019.460627]

5. Jianjun Fang, Qi Yong, Kunxi Zhang, Wentao Sun, Shifeng Yan, Lei Cui, Jingbo Yin.  (2014)  Novel injectable porous poly(γ-benzyl-L-glutamate) microspheres for cartilage tissue engineering: preparation and evaluation.  Journal of Materials Chemistry B,  3  (6): (1020-1031).  [PMID:32261981] [10.1039/C4TB01333F]

6. Zhongyue Huang, Huijie Gu, Xiaofan Yin, Long Gao, Kunxi Zhang, Yiming Zhang, Jun Xu, Liang Wu, Jingbo Yin, Lei Cui.  (2019)  Bone regeneration using injectable poly (γ-benzyl-L-glutamate) microspheres loaded with adipose-derived stem cells in a mouse femoral non-union model.  American Journal of Translational Research,      [PMID:31217844] [PMID:31217844]

7. Chenglin Liu, Zhong Zhang, Siyuan Xiong, Sheng Wan, Zeyu Chen, Yao Cheng, Bintian Zhang, Xin Yang, Guomao Zheng.  (2026)  An Overlooked Source of Nitrosamines from Tire-Derived Amine Additives: The Contribution and Transformation Mechanism of N-Isopropyl-N′-phenyl-p-phenylenediamine (IPPD) during Chlorination.  ACS ES&T Water,      [PMID:] [10.1021/acsestwater.5c01142]