Basic information
- CAS
76308-15-1- Standard SMILES
CCOC(=O)CC1CCC(N)CC1- InChIKey
SBVCDGKSVSHGFL-KYZUINATSA-N- Molecular formula
- C10H19NO2
- Average molar mass
- 185.26 g/mol
- Monoisotopic mass
- 185.14157885
Names & identifiers
- Preferred name
- Ethyl 2-(4-aminocyclohexyl)acetate
- IUPAC
- ethyl 2-(4-aminocyclohexyl)acetate
- English name
- Cyclohexaneacetic acid,4-aMino-,ethyl ester,trans-
- Molecular formula
- C10H19NO2
- Molecular weight
- 185.26
Names & synonyms
Ethyl 2-(4-aminocyclohexyl)acetate76308-28-6Ethyl 2-(trans-4-aminocyclohexyl)acetate343775-23-5Ethyl trans-2-(4-aminocyclohexyl)acetate76308-15-1Ethyl 2-(cis-4-aminocyclohexyl)acetateMFCD01333995MFCD01995054(trans-4-Aminocyclohexyl)acetic Acid Ethyl EsterCyclohexaneacetic acid, 4-amino-, ethyl ester, cis-(trans-4-Aminocyclohexyl)aceticAcidEthylEster
Show more names
(2Z)-2-(2-iodophenoxy)but-2-enoicacidEthyl (trans-4-aminocyclohexyl)acetate
ethyl 2-[(1r,4r)-4-aminocyclohexyl]acetateCyclohexaneacetic acid,4-amino-,ethyl ester,trans-Ethyltrans-2-(4-Aminocyclohexyl)acetateethyl 2-[(1s,4s)-4-aminocyclohexyl]acetateethyl 2-((1r,4r)-4-aminocyclohexyl)acetateEthyl 2-((1s,4s)-4-aminocyclohexyl)acetateEthyl (4-aminocyclohexyl)acetateEthyl 4-aminocyclohexaneacetate
Database identifiers
- CAS
76308-15-1、76308-28-6- PubChem CID
- 3573480
- UNII
- AFX68TLD4V、VUW5EFB5CB
- EC Number
- 616-319-9
- Nikkaji
- J1.121.328F、J1.121.329D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 253.2 · 253.2±13.0 °C(Predicted)
- Density
- 0.984 · 0.984±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 10.49 · 10.49±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Applications
Uses(trans-4-Aminocyclohexyl)acetic Acid Ethyl Ester was used as a reagent in various reactions in the studies of modulator of the dopamine D2 receptor, D3 receptors for their uses in treament of CNS disorders.
Upstream & downstream products
Downstream products
Suppliers49 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海华恩医药科技有限公司+86-13681955282 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Handan City Zechi trading Co., LTD+86-19003396151 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
6 records
Compound notes
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