Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(S)-1-Phenylbutylamine |
EINECS | N/A |
CAS No. | 3789-60-4 | Density | 0.934g/cm3 |
PSA | 26.02000 | LogP | 3.18680 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H15N | Boiling Point | 223.9 °C at 760mmHg |
Molecular Weight | 149.236 | Flash Point | 93.8°C |
Transport Information | 2735 | Appearance | N/A |
Safety | 26-36/37/39-45-61 | Risk Codes | 22-34-51/53 |
Molecular Structure | Hazard Symbols | C,N | |
Synonyms |
Benzenemethanamine,a-propyl-, (S)-;Benzylamine, a-propyl-, (-)- (8CI);((1S)-1-Phenylbutyl)amine;(-)-1-Phenylbutylamine;(S)-(-)-a-Propylbenzylamine;(S)-a-Propylbenzenemethanamine; |
Article Data | 26 |
The (S)-1-Phenylbutylamine, with the cas registry number of 3789-60-4, is also known as 1-Phenylbutan-1-amine and (S)-alpha-n-Propylbenzylamine. This chemical's molecular formula is C10H15N and formula weight is 149.23. What's more, both its IUPAC name and systematic name are the same which is called (1S)-1-Phenylbutan-1-amine.
Physical properties about this chemical are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.85; (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): 9.521; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 26.02 Å2; (12)Index of Refraction: 1.521; (13)Molar Refractivity: 48.606 cm3; (14)Molar Volume: 159.69 cm3; (15)Surface Tension: 35.992 dyne/cm; (16)Density: 0.934 g/cm3; (17)Flash Point: 93.791 °C; (18)Enthalpy of Vaporization: 46.04 kJ/mol; (19)Boiling Point: 223.911 °C at 760 mmHg; (20)Vapour Pressure: 0.094 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC(C1=CC=CC=C1)N;
(2)Isomeric SMILES: CCC[C@@H](C1=CC=CC=C1)N;
(3)InChI: InChI=1S/C10H15N/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6,11H2,1H3/t10-/m0/s1;
(4)InChIKey: XHOXKVFLASIOJD-JTQLQIEISA-N.