CAS No.129488-00-2,6-AMINO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	129488-00-2
Name:	6-AMINO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Article Data:	14

Formula:	C₁₃H₁₈N₂O₂
Molecular Weight:	234.298
Synonyms:	6-Aminoindoline-1-carboxylic acid tert-butyl ester;tert-Butyl 6-amino-1-indolinecarboxylate;N-Boc-6-aminoindoline;
Density:	1.177 g/cm³
Boiling Point:	374.947 °C at 760 mmHg
Flash Point:	180.561 °C
PSA:	55.56000
LogP:	3.21260

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Specification

The 6-Amino-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester, with the CAS registry number 129488-00-2, is also known as tert-Butyl 6-amino-1-indolinecarboxylate. This chemical's molecular formula is C₁₃H₁₈N₂O₂ and molecular weight is 234.29. What's more, its systematic name is 2-Methyl-2-propanyl 6-amino-1-indolinecarboxylate.

Physical properties of 6-Amino-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester are: (1)ACD/LogP: 2.282; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 26.01; (6)ACD/BCF (pH 7.4): 31.82; (7)ACD/KOC (pH 5.5): 338.34; (8)ACD/KOC (pH 7.4): 413.94; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.56 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 66.433 cm³; (15)Molar Volume: 199.048 cm³; (16)Polarizability: 26.336×10^-24cm³; (17)Surface Tension: 49.8380012512207 dyne/cm; (18)Density: 1.177 g/cm³; (19)Flash Point: 180.561 °C; (20)Enthalpy of Vaporization: 62.24 kJ/mol; (21)Boiling Point: 374.947 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N2CCc1ccc(N)cc12
(2)Std. InChI: InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-7-6-9-4-5-10(14)8-11(9)15/h4-5,8H,6-7,14H2,1-3H3
(3)Std. InChIKey: NWVDKZOUGBMLIH-UHFFFAOYSA-N