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317830-29-8

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Basic Information
CAS No.: 317830-29-8
Name: (R)-3-(1-AMINOETHYL)BENZENAMINE
Article Data: 3
Molecular Structure:
Molecular Structure of 317830-29-8 ((R)-3-(1-AMINOETHYL)BENZENAMINE)
Formula: C8H12N2
Molecular Weight: 136.197
Synonyms: (S)-1-(3-Aminophenyl)-1-aminoethane;3-((1S)-1-Aminoethyl)aniline;
Density: 1.056 g/cm3
Boiling Point: 266.46 °C at 760 mmHg
Flash Point: 135.199 °C
PSA: 52.04000
LogP: 2.57000
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Specification

The CAS register number of Benzenemethanamine,3-amino-a-methyl-, (aS)- is 317830-29-8. It also can be called as (S)-1-(3-Aminophenyl)-1-aminoethane and the IUPAC name about this chemical is 3-[(1S)-1-aminoethyl]aniline. The molecular formula about this chemical is C8H12N2 and the molecular weight is 136.19.

Physical properties about Benzenemethanamine,3-amino-a-methyl-, (aS)- are: (1)ACD/LogP: 0.57; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1.11; (6)#H bond acceptors: 2; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 52.04 Å2; (10)Index of Refraction: 1.591; (11)Molar Refractivity: 43.576 cm3; (12)Molar Volume: 128.957 cm3; (13)Polarizability: 17.275x10-24cm3; (14)Surface Tension: 46.861 dyne/cm; (15)Density: 1.056 g/cm3; (16)Flash Point: 135.199 °C; (17)Enthalpy of Vaporization: 50.444 kJ/mol; (18)Boiling Point: 266.46 °C at 760 mmHg; (19)Vapour Pressure: 0.009 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@H](c1cccc(c1)N)N
(2)InChI: InChI=1/C8H12N2/c1-6(9)7-3-2-4-8(10)5-7/h2-6H,9-10H2,1H3/t6-/m0/s1
(3)InChIKey: MBWYRMCXWROJMP-LURJTMIEBY
(4)Std. InChI: InChI=1S/C8H12N2/c1-6(9)7-3-2-4-8(10)5-7/h2-6H,9-10H2,1H3/t6-/m0/s1
(5)Std. InChIKey: MBWYRMCXWROJMP-LURJTMIESA-N