Basic Information | Post buying leads | Suppliers |
Name |
Benzeneethanamine, N,N-dibutyl-, hydrochloride (1:1) |
EINECS | 238-036-6 |
CAS No. | 14180-18-8 | Density | N/A |
PSA | 3.24000 | LogP | 4.93330 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H28ClN | Boiling Point | 318.1 °C at 760 mmHg |
Molecular Weight | 269.85322 | Flash Point | 133 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzeneethanamine,N,N-dibutyl-, hydrochloride (9CI);Phenethylamine, N,N-dibutyl-, hydrochloride(7CI,8CI);Phenethyldibutylamine hydrochloride; |
The Benzeneethanamine, N,N-dibutyl-, hydrochloride (1:1) is an organic compound with the C16H28ClN. The systematic name of this chemical is N-butyl-N-(2-phenylethyl)butan-1-amine hydrochloride (1:1). With the CAS registry number 14180-18-8 and EINECS 238-036-6, it is also named as N,N-Dibutylphenethylamine hydrochloride. In addition, the molecular weight is 269.85322.
The other characteristics of Benzeneethanamine, N,N-dibutyl-, hydrochloride (1:1) can be summarized as: (1)ACD/Logp: 5.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 5.46; (6)ACD/BCF (pH 7.4): 25.46; (7)ACD/KOC (pH 5.5): 15.64; (8)ACD/KOC (pH 7.4): 72.91; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 133 °C; (14)Enthalpy of Vaporization: 55.96 kJ/mol; (15)Boiling Point: 318.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000369 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:Cl.N(CCc1ccccc1)(CCCC)CCCC
2. InChI:InChI=1/C16H27N.ClH/c1-3-5-13-17(14-6-4-2)15-12-16-10-8-7-9-11-16;/h7-11H,3-6,12-15H2,1-2H3;1H
3. InChIKey:OAUFZDJROJSXGE-UHFFFAOYAU
4. Std. InChI:InChI=1S/C16H27N.ClH/c1-3-5-13-17(14-6-4-2)15-12-16-10-8-7-9-11-16;/h7-11H,3-6,12-15H2,1-2H3;1H
5. Std. InChIKey:OAUFZDJROJSXGE-UHFFFAOYSA-N