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| CAS No.: | 145143-60-8 |
|---|---|
| Name: | ETHYL 1-AMINO-1-CYCLOBUTANECARBOXYLATE & |
| Molecular Structure: | |
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|
|
| Formula: | C7H14ClNO2 |
| Molecular Weight: | 179.64 |
| Synonyms: | Cyclobutanecarboxylicacid, 1-amino-, ethyl ester, hydrochloride (9CI);1-Aminocyclobutane-1-carboxylicacid ethyl ester hydrochloride;Ethyl 1-aminocyclobutanecarboxylatehydrochloride; |
| Boiling Point: | 226.7 °C at 760 mmHg |
| Flash Point: | 90.9 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36-42/43 |
| Safety: | 26-36 |
| PSA: | 52.32000 |
| LogP: | 1.93320 |
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- Total:33 Page 1 of 1 1
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Specification
This chemical is called Ethyl 1-aminocyclobutanecarboxylate hydrochloride (1:1), and its CAS registry number is 145143-60-8. With the molecular formula of C7H14ClNO2, its molecular weight is 179.64. Additionally, its product categories are C6 to C7; Carbonyl Compounds; Esters.
Other characteristics of the Ethyl 1-aminocyclobutanecarboxylate hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 4.55; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 52.32 Å2; (11)Flash Point: 90.9 °C; (12)Enthalpy of Vaporization: 47.27 kJ/mol; (13)Boiling Point: 226.7 °C at 760 mmHg; (14)Vapour Pressure: 0.0658 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes. It may cause sensitization by inhalation and skin contact. Wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Cl.O=C(OCC)C1(N)CCC1
2.InChI: InChI=1/C7H13NO2.ClH/c1-2-10-6(9)7(8)4-3-5-7;/h2-5,8H2,1H3;1H
3.InChIKey: YGAYWFFKRVMVBL-UHFFFAOYAI