Name: S-(-)-a-Methyl-p-aminobenzylamine
SKU: 65645-33-2

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Basic Information

Molecular Structure:
CAS No.:	65645-33-2
Name:	S-(-)-a-Methyl-p-aminobenzylamine
Article Data:	10

Formula:	C₈H₁₂N₂
Molecular Weight:	136.197
Synonyms:	Benzenemethanamine,4-amino-a-methyl-, (S)- (9CI);S-(-)-a-Methyl-p-aminobenzylamine;
Density:	1.056 g/cm³
Boiling Point:	269.73 °C at 760 mmHg
Flash Point:	137.619 °C
PSA:	52.04000
LogP:	2.57000

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Specification

The CAS register number of Benzenemethanamine,4-amino-a-methyl-, (aS)- is 65645-33-2. It also can be called as S-(-)-a-Methyl-p-aminobenzylamine and the systematic name about this chemical is 4-[(1S)-1-aminoethyl]aniline. The molecular formula about this chemical is C₈H₁₂N₂ and the molecular weight is 136.1943. It belongs to the following product category which includes API intermediates.

Physical properties about Benzenemethanamine,4-amino-a-methyl-, (aS)- are: (1)ACD/LogP: 0.51; (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; (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: 137.619 °C; (17)Enthalpy of Vaporization: 50.787 kJ/mol; (18)Boiling Point: 269.73 °C at 760 mmHg; (19)Vapour Pressure: 0.007 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@H](c1ccc(cc1)N)N
(2)InChI: InChI=1/C8H12N2/c1-6(9)7-2-4-8(10)5-3-7/h2-6H,9-10H2,1H3/t6-/m0/s1
(3)InChIKey: CDSPOZXUDJUBEZ-LURJTMIEBI
(4)Std. InChI: InChI=1S/C8H12N2/c1-6(9)7-2-4-8(10)5-3-7/h2-6H,9-10H2,1H3/t6-/m0/s1
(5)Std. InChIKey: CDSPOZXUDJUBEZ-LURJTMIESA-N