CAS No.1128-00-3,2-AMINO-CYCLOHEX-1-ENECARBOXYLIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1128-00-3
Name:	2-AMINO-CYCLOHEX-1-ENECARBOXYLIC ACID ETHYL ESTER
Article Data:	2

Formula:	C₉H₁₅NO₂
Molecular Weight:	169.224
Synonyms:	Ethyl2-amino-1-cyclohexene-1-carboxylate;Ethyl 2-amino-1-cyclohexenecarboxylicacid;Ethyl 2-aminocyclohexenecarboxylate;NSC 225254;
Density:	1.13 g/cm³
Melting Point:	70-74 ºC
Boiling Point:	290.1 ºC at 760 mmHg
Flash Point:	129.3 ºC
Appearance:	White or light yellow crystal
Safety:	S24/25
PSA:	52.32000
LogP:	2.03660

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Specification

This chemical is called 1-Cyclohexene-1-carboxylicacid, 2-amino-. With the molecular formula of C₉H₁₅NO₂, its molecular weight is 169.22. The CAS registry number of this chemical is 1128-00-3. In addition, this chemical should be sealed in the cool and dry place, away from light.

Other characteristics of the chemical can be summarised as followings:(1)Molecular Weight: 169.2209 [g/mol]; (2)Molecular Formula: C9H15NO2; (3)XLogP3-AA: 1.8; (4)H-Bond Donor: 1; (5)H-Bond Acceptor: 3; (6)Rotatable Bond Count: 3; (7)Tautomer Count: 5; (8)Exact Mass: 169.110279; (9)MonoIsotopic Mass: 169.110279; (10)Topological Polar Surface Area: 52.3; (11)Heavy Atom Count: 12; (12)Complexity: 209; (13)Covalently-Bonded Unit Count: 1; (14)Feature 3D Acceptor Count: 1; (15)Feature 3D Donor Count: 1; (16)Feature 3D Cation Count: 1; (17)Feature 3D Ring Count: 1; (18)Effective Rotor Count: 3.8; (19)Conformer Sampling RMSD: 0.6; (20)CID Conformer Count: 22.

Uses of this chemical: The 1-Cyclohexene-1-carboxylicacid, 2-amino-, ethyl ester could react with 4-hydroxy-1H-quinolin-2-one to obtain the 7,9,10,12-tetrahydro-8H-5-oxa-12-aza-chrysene-6,11-dione. This reaction needs the solvent of nitrobenzene. The yield is 42 %. In addition, this reaction should be taken for 1 hour at the temperature of 200 °C.

The 1-Cyclohexene-1-carboxylicacid, 2-amino-, ethyl ester could react with 4-hydroxy-1H-quinolin-2-one to obtain the 7,9,10,12-tetrahydro-8H-5-oxa-12-aza-chrysene-6,11-dione.

When you are using this chemical, please be cautious about it as the following:Please avoid contacting it with skin and eyes.

When you are using this chemical, please be cautious about it as the following:
1.IUPAC Name: ethyl 2-aminocyclohexene-1-carboxylate
2.Canonical SMILES: CCOC(=O)C1=C(CCCC1)N
3.InChI: InChI=1S/C9H15NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6,10H2,1H3
4.InChIKey: JBZVWABPSHNPIK-UHFFFAOYSA-N