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1213506-92-3

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Basic Information
CAS No.: 1213506-92-3
Name: (R)-5-methylchroman-4-amine
Molecular Structure:
Molecular Structure of 1213506-92-3 ((R)-5-methylchroman-4-amine)
Formula: C10H13NO
Molecular Weight: 163.22
Synonyms: 2H-1-benzopyran-4-amine, 3,4-dihydro-5-methyl-;5-Methyl-3,4-dihydro-2H-chromen-4-amine;(R)-5-Methylchroman-4-amine;(S)-5-Methylchroman-4-amine;
Density: 1.08 g/cm3
Boiling Point: 262.595 °C at 760 mmHg
Flash Point: 115.933 °C
PSA: 0.00000
LogP: 0.00000
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Specification

The 5-Methylchroman-4-amine, with the CAS registry number 1213506-92-3, is also known as 2H-1-benzopyran-4-amine, 3,4-dihydro-5-methyl-. This chemical's molecular formula is C10H13NO and molecular weight is 163.22. What's more, its IUPAC name is 5-methyl-3,4-dihydro-2H-chromen-4-amine.

Physical properties of 5-Methylchroman-4-amine are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.144; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 5.412; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.25 Å2; (11)Index of Refraction: 1.554; (12)Molar Refractivity: 48.41 cm3; (13)Molar Volume: 151.152 cm3; (14)Polarizability: 19.191×10-24cm3; (15)Surface Tension: 42.357 dyne/cm; (16)Density: 1.08 g/cm3; (17)Flash Point: 115.933 °C; (18)Enthalpy of Vaporization: 50.039 kJ/mol; (19)Boiling Point: 262.595 °C at 760 mmHg; (20)Vapour Pressure: 0.011 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C2C(CCOC2=CC=C1)N
(2)InChI: InChI=1S/C10H13NO/c1-7-3-2-4-9-10(7)8(11)5-6-12-9/h2-4,8H,5-6,11H2,1H3
(3)InChIKey: DSSUVKQMJDZIDG-UHFFFAOYSA-N