Completing data — refresh the page later to see the latest
Basic information
- CAS
1128-00-3- Standard SMILES
CCOC(=O)C1=C(N)CCCC1- InChIKey
JBZVWABPSHNPIK-UHFFFAOYSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.11027872
Overview
Ethyl-2-amino-1-cyclohexene-1-carboxylate is an enamine and an enone.
Names & identifiers
- Preferred name
- Ethyl 2-aminocyclohex-1-ene-1-carboxylate
- IUPAC
- ethyl 2-aminocyclohexene-1-carboxylate
- English name
- 2-Amino-cyclohex-1-enecarboxylic acid ethyl ester
- Molecular formula
- C9H15NO2
- Molecular weight
- 169.22
Names & synonyms
1128-00-3ethyl 2-aminocyclohex-1-ene-1-carboxylateDTXSID90310322RefChem:1084792DTXCID10261448Ethyl 2-amino-1-cyclohexene-1-carboxylateethyl 2-aminocyclohex-1-enecarboxylateethyl 2-aminocyclohexene-1-carboxylate2-Amino-cyclohex-1-enecarboxylic acid ethyl esterMFCD018632431-Cyclohexene-1-carboxylic acid, 2-amino-, ethyl ester2-Amino-cyclohex-1-enecarboxylicacidethylester
Show more names
ETHYL-(2-AMINOCYCLOHEX-1-EN-1-CARBOXYLAT)Ethyl 2-amino-1-cyclohexene-1-carboxylate,98%2-Amino-1-cyclohexenecarboxylic acid ethyl ester2-aminocyclohexene-1-carboxylic acid ethyl ester1-Cyclohexene-1-carboxylicacid, 2-aMino-, ethyl ester
NSC2252542-Aminocyclohex-1-enecarboxylic acid ethyl esterSCHEMBL1144592CHEBI:167793JBZVWABPSHNPIK-UHFFFAOYSA-NALBB-025572GEO-03438SBB072592
Database identifiers
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 70 · 70-74 °C
- Boiling point
- 298.52 °C · 298.52°C (rough estimate)
- Density
- 1.0873 · 1.0873 (rough estimate)
- refractive index
- 1.458 · 1.4580 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- Crystals or Crystalline Powder
- pka
- 6.97 · 6.97±0.20(Predicted)
- color
- White to light yellow
- Safety Statements
- 24 · 24/25
- HS Code
- 29224999 · 29224999
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29224999
- safety_code
- 24/25
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers53 total
韶远科技(上海)有限公司4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific
Related reactions
11 records
Compound notes
Loading…