Cas no 478694-53-0 (trans-methyl 3aminocyclohexane1carboxylate)

Technical Introduction: Trans-methyl 3-aminocyclohexane-1-carboxylate is a chiral cyclohexane derivative featuring both amino and ester functional groups. Its rigid trans-configuration enhances stereochemical stability, making it valuable as a building block in asymmetric synthesis and pharmaceutical intermediates. The compound’s structural versatility allows for modifications at the amine and ester sites, facilitating applications in peptidomimetics and bioactive molecule design. Its well-defined stereochemistry ensures reproducibility in reactions, while the methyl ester group offers synthetic flexibility for further derivatization. This compound is particularly useful in medicinal chemistry for developing constrained analogs or as a scaffold for chiral auxiliaries. High purity grades are available to meet rigorous research and industrial standards.

trans-methyl 3aminocyclohexane1carboxylate structure

478694-53-0 structure

Product Name:trans-methyl 3aminocyclohexane1carboxylate

CAS No:478694-53-0

MF:C₈H₁₅NO₂

MW:157.210202455521

MDL:MFCD27988070

CID:931525

PubChem ID:46172887

Update Time:2025-05-28

trans-methyl 3aminocyclohexane1carboxylate Chemical and Physical Properties

Names and Identifiers

- Cyclohexanecarboxylic acid, 3-amino-, methyl ester, (1R,3R)-rel- (9CI)
- trans-methyl 3aminocyclohexane1carboxylate
- trans-3-Amino-cyclohexanecarboxylic acid methyl ester
- MFCD30065531
- methyl (1R,3R)-3-aminocyclohexane-1-carboxylate
- 1821656-06-7
- rac-methyl (1R,3R)-3-aminocyclohexane-1-carboxylate
- EN300-365294
- EN300-1069367
- Cyclohexanecarboxylic acid, 3-amino-, methyl ester, (1R,3R)-rel-
- SCHEMBL1543564
- (1R,3R)-Methyl 3-aminocyclohexanecarboxylate
- rel-(1R,3R)-Methyl 3-aminocyclohexanecarboxylate
- rel-(1R,3R)-Methyl3-aminocyclohexanecarboxylate
- 478694-53-0
- MDL： MFCD27988070
- Inchi： 1S/C8H15NO2/c1-11-8(10)6-3-2-4-7(9)5-6/h6-7H,2-5,9H2,1H3/t6-,7-/m1/s1
- InChI Key： ZMMITUCIAZVHCG-RNFRBKRXSA-N
- SMILES： O(C)C([C@@H]1CCC[C@H](C1)N)=O

Computed Properties

Exact Mass: 157.11
Monoisotopic Mass: 157.11
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 11
Rotatable Bond Count: 2
Complexity: 147
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 2
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 52.3A^2
XLogP3: 0.4

trans-methyl 3aminocyclohexane1carboxylate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
eNovation Chemicals LLC	Y1123538-100mg	trans-3-Amino-cyclohexanecarboxylic acid methyl ester	478694-53-0	95%	100mg	$200	2024-07-28
eNovation Chemicals LLC	Y1123538-250mg	trans-3-Amino-cyclohexanecarboxylic acid methyl ester	478694-53-0	95%	250mg	$260	2024-07-28
eNovation Chemicals LLC	Y1123538-500mg	trans-3-Amino-cyclohexanecarboxylic acid methyl ester	478694-53-0	95%	500mg	$400	2024-07-28
eNovation Chemicals LLC	Y1123538-1g	trans-3-Amino-cyclohexanecarboxylic acid methyl ester	478694-53-0	95%	1g	$665	2024-07-28
eNovation Chemicals LLC	Y1123538-5g	trans-3-Amino-cyclohexanecarboxylic acid methyl ester	478694-53-0	95%	5g	$2675	2024-07-28
Enamine	EN300-365294-0.05g	rac-methyl (1R,3R)-3-aminocyclohexane-1-carboxylate	478694-53-0	95.0%	0.05g	$294.0	2025-03-18
Enamine	EN300-365294-0.1g	rac-methyl (1R,3R)-3-aminocyclohexane-1-carboxylate	478694-53-0	95.0%	0.1g	$308.0	2025-03-18
Enamine	EN300-365294-0.25g	rac-methyl (1R,3R)-3-aminocyclohexane-1-carboxylate	478694-53-0	95.0%	0.25g	$321.0	2025-03-18
Enamine	EN300-365294-0.5g	rac-methyl (1R,3R)-3-aminocyclohexane-1-carboxylate	478694-53-0	95.0%	0.5g	$336.0	2025-03-18
Enamine	EN300-365294-1.0g	rac-methyl (1R,3R)-3-aminocyclohexane-1-carboxylate	478694-53-0	95.0%	1.0g	$350.0	2025-03-18