Home >> Chemicals Listing >> hot product list by B  

Benzenemethanamine, N,a-dimethyl-, (aS)- (19131-99-8)

Identification
Name:Benzenemethanamine, N,a-dimethyl-, (aS)-
Synonyms:Benzenemethanamine,N,a-dimethyl-, (S)-;Benzylamine, N,a-dimethyl-, (S)-(-)- (8CI);(1S)-N-Methyl-1-phenylethylamine;(S)-(-)-N-Methyl-1-phenylethylamine;(S)-Methyl(1-phenylethyl)amine;(S)-N,a-Dimethylbenzenemethanamine;(S)-N,a-Dimethylbenzylamine;(S)-N-Methyl-1-phenylethylamine;(S)-N-Methyl-a-methylbenzylamine;(S)-a,N-Dimethylbenzylamine;N-Methyl-(S)-1-phenylethylamine;N-Methyl-(S)-a-phenylethylamine;N-Methyl-N-((aS)-a-methylbenzyl)amine;N-Methyl-N-[(1S)-1-phenylethyl]amine;S-(-)-N,a-Dimethylbenzylamine;
CAS:19131-99-8
Molecular Formula: C9H13N
Molecular Weight: 135.21
InChI: InChI=1/C10H11NS/c1-7-4-9(3)10(11-6-12)5-8(7)2/h4-5H,1-3H3
Molecular Structure: (C9H13N) Benzenemethanamine,N,a-dimethyl-, (S)-;Benzylamine, N,a-dimethyl-, (S)-(-)- (8CI);(1S)-N-Methyl-1-ph...
Properties
Transport:UN 2619
Density:0.911g/cm3
Refractive index:1.512
Alpha:-72 o (C=2 IN CHLOROFORM)
Specification:

The (S)-(-)-N-Methyl-1-phenylethylamine with the CAS number 19131-99-8 is also called Benzenemethanamine, N,a-dimethyl-, (aS)-. Both the systematic name and IUPAC name are (1S)-N-methyl-1-phenylethanamine. Its molecular formula is C9H13N. The product category is Chiral Compound.

The properties of the (S)-(-)-N-Methyl-1-phenylethylamine are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.21; (4)ACD/LogD (pH 7.4): -0.43; (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): 1.24; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 44.03 cm3; (15)Molar Volume: 148.3 cm3; (16)Polarizability: 17.45×10-24cm3; (17)Surface Tension: 31.1 dyne/cm; (18)Enthalpy of Vaporization: 41.5 kJ/mol; (19)Vapour Pressure: 0.976 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It can cause burns.  Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: N(C)[C@H](c1ccccc1)C
(2)InChI: InChI=1/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m0/s1
(3)InChIKey: RCSSHZGQHHEHPZ-QMMMGPOBBW

Safety Data
Hazard Symbols C: Corrosive
 

Other Product