CAS No.4187-33-1,Benzylamine,a,2,5-trimethyl-, (-)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4187-33-1
Name:	Benzylamine,a,2,5-trimethyl-, (-)-

Formula:	C₁₀H₁₅N
Molecular Weight:	149.236
Synonyms:	Benzylamine,a,2,5-trimethyl-, (-)-;Benzenemethanamine, α,2,5-trimethyl-, (S)- (9CI);
Density:	0.937 g/cm³
Boiling Point:	228.6 °C at 760 mmHg
Flash Point:	94.8 °C
PSA:	26.02000
LogP:	3.02340

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Specification

The CAS register number of (1S)-1-(2,5-Dimethylphenyl)ethanamine is 4187-33-1. It also can be called as Benzenemethanamine, α,2,5-trimethyl-, (S)- (9CI). The molecular formula about this chemical is C₁₀H₁₅N and the molecular weight is 149.23. It belongs to the following product categorie which include API intermediates.

Physical properties about (1S)-1-(2,5-Dimethylphenyl)ethanamine are: (1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): -0.72; (3)ACD/LogD (pH 7.4): -0.01; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.94; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å²; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 48.99 cm³; (14)Molar Volume: 159.2 cm³; (15)Polarizability: 19.42x10^-24cm³; (16)Surface Tension: 34.8 dyne/cm; (17)Density: 0.937 g/cm³; (18)Flash Point: 94.8 °C; (19)Enthalpy of Vaporization: 46.52 kJ/mol; (20)Boiling Point: 228.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0727 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N[C@H](c1cc(ccc1C)C)C
(2)InChI: InChI=1/C10H15N/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6,9H,11H2,1-3H3/t9-/m0/s1
(3)InChIKey: ULGHUDXDTMIEAM-VIFPVBQEBT
(4)Std. InChI: InChI=1S/C10H15N/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6,9H,11H2,1-3H3/t9-/m0/s1
(5)Std. InChIKey: ULGHUDXDTMIEAM-VIFPVBQESA-N