Lot numbers can be found on the outside label of a product:
Cyclohexaneethylamine
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CAS No. 4442-85-7
- Cat. No. CS-0040906
- Purity≥96%
- MDL No.MFCD01734731
*For research and further manufacturing use only, not for direct human use.
Structure of 4442-85-7
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General Information
- CAS No. 4442-85-7
- Cat. No. CS-0040906
- Purity ≥96%
- MDL No. MFCD01734731
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₇N
- Molecular Weight 127.23
- Synonym(s) Ethylamine, 2-cyclohexyl-
- SMILES NCCC1CCCCC1
Description
Cyclohexaneethylamine serves as a versatile bifunctional amine scaffold, integrating a rigid cyclohexyl ring with a flexible ethyl linker. This structural combination imparts enhanced lipophilicity and conformational stability, facilitating its use in medicinal chemistry and catalyst design. The primary amine group enables straightforward derivatization under standard conditions.
Application
Cyclohexaneethylamine serves as a versatile bifunctional building block in medicinal chemistry, enabling the construction of bioactive heterocycles and peptide mimetics. Its cyclohexyl moiety provides conformational rigidity, while the primary amine facilitates straightforward derivatization via alkylation, acylation, or coupling reactions. The compound exhibits excellent bench stability and compatibility with standard purification techniques, making it well-suited for scalable synthesis and process development workflows.
Synthesis
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Route1
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64-04-0 - ~%
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In-stock
4442-85-7
References
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Skita Chemische Berichte, 1924 , vol. 57, p. 1980
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Route2
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6975-71-9 - ~%
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In-stock
4442-85-7
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In-stock
3399-73-3
References
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Kukula, Pavel; Studer, Martin; Blaser, Hans-Ulrich Advanced Synthesis and Catalysis, 2004 , vol. 346, # 12 p. 1487 - 1493
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Route3
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In-stock
3399-73-3
- ~70%
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In-stock
4442-85-7
References
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Akalaeva, T. V.; Amel'kin, L. Yu.; Baklanova, O. V.; Bokanov, A. I.; Ivanov, P. Yu.; et al. Pharmaceutical Chemistry Journal, 1990 , vol. 24, # 11 p. 826 - 829 Khimiko-Farmatsevticheskii Zhurnal, 1990 , vol. 24, # 11 p. 46 - 48
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H319-H412
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Precautionary Statements : P264-P270-P273-P280-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.02
- LogP 1.9155
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 2
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