3-Aminocyclobutanecarboxylic acid tert-butyl ester supplier

Name
3-Aminocyclobutanecarboxylic acid tert-butyl ester
EINECS
CAS No. 1173205-83-8
Density 1.033 g/cm³
Solubility
Melting Point
Formula C₉H₁₇NO₂
Boiling Point 218.612 °C at 760 mmHg
Molecular Weight 171.2368
Flash Point 87.06 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butyl 3-aminocyclobutanecarboxylate;Cyclobutanecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester;
PSA 52.32000
LogP 1.76570

3-Aminocyclobutanecarboxylic acid tert-butyl ester Specification

The systematic name of 3-Aminocyclobutanecarboxylic acid tert-butyl ester is tert-Butyl 3-aminocyclobutanecarboxylate. With the CAS registry number 1173205-83-8, it is also named as Cyclobutanecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester. In addition, its molecular formula is C₉H₁₇NO₂ and molecular weight is 171.2368.

The other characteristics of 3-Aminocyclobutanecarboxylic acid tert-butyl ester can be summarized as: (1)ACD/LogP: 1.11; (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): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 52.32 Å²; (11)Index of Refraction: 1.477; (12)Molar Refractivity: 46.815 cm³; (13)Molar Volume: 165.73 cm³; (14)Polarizability: 18.559×10^-24cm³; (15)Surface Tension: 36.857 dyne/cm; (16)Density: 1.033 g/cm³; (17)Flash Point: 87.06 °C; (18)Enthalpy of Vaporization: 45.501 kJ/mol; (19)Boiling Point: 218.612 °C at 760 mmHg; (20)Vapour Pressure: 0.125 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CC(C)(C)OC(=O)C1CC(C1)N
(2)InChI: InChI=1/C9H17NO2/c1-9(2,3)12-8(11)6-4-7(10)5-6/h6-7H,4-5,10H2,1-3H3
(3)InChIKey: KNRNVMUJMBOCRF-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)6-4-7(10)5-6/h6-7H,4-5,10H2,1-3H3
(5)Std. InChIKey: KNRNVMUJMBOCRF-UHFFFAOYSA-N

Product Name

3-Aminocyclobutanecarboxylic acid tert-butyl ester

3-Aminocyclobutanecarboxylic acid tert-butyl ester Specification

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