CAS No.210488-55-4,2H-1-Benzopyran-4-amine,3,4-dihydro-,(4R)-(9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	210488-55-4
Name:	2H-1-Benzopyran-4-amine,3,4-dihydro-,(4R)-(9CI)
Article Data:	9

Formula:	C₉H₁₁NO
Molecular Weight:	149.19
Synonyms:	(4R)-3,4-Dihydro-2H-1-benzopyran-4-amine;
Density:	1.106 g/cm³
Boiling Point:	237.4 °C at 760 mmHg
Flash Point:	102.1 °C
PSA:	35.25000
LogP:	2.16920

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Specification

The (4R)-3,4-Dihydro-2H-1-benzopyran-4-amine is an organic compound with the formula C₉H₁₁NO. The IUPAC name of this chemical is 3,4-dihydro-2H-chromen-4-amine. With the CAS registry number 210488-55-4, it is also named as (4R)-Chroman-4-amine. The product's category is Amineprimary.

The other characteristics of (4R)-3,4-Dihydro-2H-1-benzopyran-4-amine can be summarized as: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.63; (4)ACD/LogD (pH 7.4): -0.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.53; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 43.58 cm³; (14)Molar Volume: 134.8 cm³; (15)Polarizability: 17.27×10^-24 cm³; (16)Surface Tension: 44.2 dyne/cm; (17)Flash Point: 102.1 °C; (18)Enthalpy of Vaporization: 47.42 kJ/mol; (19)Boiling Point: 237.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0449 mmHg at 25°C; (21)Exact Mass: 149.084064; (22)MonoIsotopic Mass: 149.084064; (23)Topological Polar Surface Area: 35.2; (24)Heavy Atom Count: 11; (25)Complexity: 138.

People can use the following data to convert to the molecule structure.
1. SMILES:O2c1ccccc1[C@H](N)CC2
2. InChI:InChI=1/C9H11NO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6,10H2/t8-/m1/s1
3. InChIKey:LCOFMNJNNXWKOC-MRVPVSSYBH
4. Std. InChI:InChI=1S/C9H11NO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6,10H2/t8-/m1/s1
5. Std. InChIKey:LCOFMNJNNXWKOC-MRVPVSSYSA-N