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Methyl 1-aminomethyl-cyclohexanecarboxylate HCl

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Name

Methyl 1-aminomethyl-cyclohexanecarboxylate HCl

EINECS N/A
CAS No. 227203-36-3 Density N/A
PSA 52.32000 LogP 2.57090
Solubility N/A Melting Point 169-170 ° C
Formula C9H18ClNO2 Boiling Point 273.4 °C at 760 mmHg
Molecular Weight 207.70 Flash Point 119.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 227203-36-3 (METHYL 1-AMINOMETHYL-CYCLOHEXANECARBOXYLATE HCL) Hazard Symbols N/A
Synonyms

Cyclohexanecarboxylicacid, 1-(aminomethyl)-, methyl ester, hydrochloride (9CI);Methyl 1-(aminomethyl)cyclohexanecarboxylate hydrochloride (1:1);

 

Methyl 1-aminomethyl-cyclohexanecarboxylate HCl 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

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