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| CAS No.: | 227203-36-3 |
|---|---|
| Name: | METHYL 1-AMINOMETHYL-CYCLOHEXANECARBOXYLATE HCL |
| Molecular Structure: | |
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| Formula: | C9H18ClNO2 |
| Molecular Weight: | 207.70 |
| Synonyms: | Cyclohexanecarboxylicacid, 1-(aminomethyl)-, methyl ester, hydrochloride (9CI);Methyl 1-(aminomethyl)cyclohexanecarboxylate hydrochloride (1:1); |
| Melting Point: | 169-170 ° C |
| Boiling Point: | 273.4 °C at 760 mmHg |
| Flash Point: | 119.1 °C |
| PSA: | 52.32000 |
| LogP: | 2.57090 |
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Specification
The Cyclohexanecarboxylicacid, 1-(aminomethyl)-, methyl ester, hydrochloride (1:1), with CAS registry number 227203-36-3, has the systematic name of methyl 1-(aminomethyl)cyclohexane-1-carboxylate hydrochloride. Besides this, it is also called Methyl 1-aminomethyl-cyclohexanecarboxylate hcl. And the chemical formula of this chemical is C9H18ClNO2.
Physical properties of Cyclohexanecarboxylicacid, 1-(aminomethyl)-, methyl ester, hydrochloride (1:1): (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 52.32 Å2; (7)Flash Point: 119.1 °C; (8)Enthalpy of Vaporization: 52.2 kJ/mol; (9)Boiling Point: 273.4 °C at 760 mmHg; (10)Vapour Pressure: 0.00446 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.NCC1(CCCCC1)C(=O)OC
(2)InChI: InChI=1/C9H17NO2.ClH/c1-12-8(11)9(7-10)5-3-2-4-6-9;/h2-7,10H2,1H3;1H
(3)InChIKey: MJTJGUAHTHRKHJ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H17NO2.ClH/c1-12-8(11)9(7-10)5-3-2-4-6-9;/h2-7,10H2,1H3;1H
(5)Std. InChIKey: MJTJGUAHTHRKHJ-UHFFFAOYSA-N