Lot numbers can be found on the outside label of a product:
Cyclohexane-1,3-diamine
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CAS No. 3385-21-5
- Cat. No. CS-0129557
- Purity≥98%
- MDL No.MFCD00059563
*For research and further manufacturing use only, not for direct human use.
Structure of 3385-21-5
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General Information
- CAS No. 3385-21-5
- Cat. No. CS-0129557
- Purity ≥98%
- MDL No. MFCD00059563
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₁₄N₂
- Molecular Weight 114.19
- Synonym(s) cyclohex-1,3-ylenediamine
- SMILES NC1CC(N)CCC1
Description
Cyclohexane-1,3-diamine features a rigid, trans-fused diamine scaffold ideal for chelating metal ions and constructing molecular architectures. This bench-stable compound integrates readily into ligand design, offering enhanced coordination geometry and stability in catalytic systems.
Application
Cyclohexane-1,3-diamine serves as a versatile bifunctional building block in medicinal chemistry and catalyst design. Its 1,3-diaxial arrangement enables predictable conformational control in macrocyclic and chelating systems. The diamine functions effectively in amide coupling, metal coordination, and heterocycle synthesis, offering excellent bench stability and ease of purification. Widely used in ligand development and scaffold diversification, it facilitates access to bioactive molecules through robust, scalable transformations.
Synthesis
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Route1
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In-stock
3971-31-1 - ~72%
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In-stock
3385-21-5
References
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Munk, Vivienne P.; Cham, S. Tsuey; Fenton, Ronald R.; Hocking, Rosalie K.; Hambley, Trevor W. Australian Journal of Chemistry, 2002 , vol. 55, # 8 p. 523 - 529
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Route2
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99-09-2 - ~%
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In-stock
3385-21-5
References
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Chemische Berichte, , vol. 52, p. 1526
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Route3
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2802-07-5
- ~%
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In-stock
3385-21-5
References
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Justus Liebigs Annalen der Chemie, , vol. 278, p. 28
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05
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Signal Word : Danger
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UN#: 2735
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H302-H314-H318
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Precautionary Statements : P280-P304+P340
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Quality Control
Computational Chemistry Data
- TPSA 52.04
- LogP 0.215
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 0
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Key Words
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