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100869-07-6

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Basic Information
CAS No.: 100869-07-6
Name: 2-AMINOMETHYL-4-METHYL-PENTANOIC ACID
Molecular Structure:
Molecular Structure of 100869-07-6 (2-AMINOMETHYL-4-METHYL-PENTANOIC ACID)
Formula: C7H15NO2
Molecular Weight: 145.2
Synonyms: 2-(Aminomethyl)-4-methylpentanoic acid;
Density: 1.014 g/cm3
Boiling Point: 249.115 °C at 760 mmHg
Flash Point: 104.461 °C
PSA: 63.32000
LogP: 1.39230
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Specification

The Pentanoic acid, 2-(aminomethyl)-4-methyl- has the CAS registry number 100869-07-6. This chemical's molecular formula is C7H15NO2 and molecular weight is 145.2. What's more, its systematic name is 2-(aminomethyl)-4-methylpentanoic acid.

Physical properties of Pentanoic acid, 2-(aminomethyl)-4-methyl- are: (1)ACD/LogP: 0.85; (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: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 63.32 Å2; (11)Index of Refraction: 1.464; (12)Molar Refractivity: 39.496 cm3; (13)Molar Volume: 143.139 cm3; (14)Polarizability: 15.657×10-24cm3; (15)Surface Tension: 38.367 dyne/cm; (16)Density: 1.014 g/cm3; (17)Flash Point: 104.461 °C; (18)Enthalpy of Vaporization: 53.553 kJ/mol; (19)Boiling Point: 249.115 °C at 760 mmHg; (20)Vapour Pressure: 0.007 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)CC(CN)C(O)=O
(2)InChI: InChI=1S/C7H15NO2/c1-5(2)3-6(4-8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)
(3)InChIKey: IAXQYBCPMFDMOJ-UHFFFAOYSA-N