Benzeneethanamine, N,N-dibutyl-, hydrochloride (1:1) supplier

Name
N,N-dibutylphenethylamine hydrochloride
EINECS 238-036-6
CAS No. 14180-18-8
Density
Solubility
Melting Point
Formula C₁₆H₂₈ClN
Boiling Point 318.1 °C at 760 mmHg
Molecular Weight 269.85322
Flash Point 133 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzeneethanamine,N,N-dibutyl-, hydrochloride (9CI);Phenethylamine, N,N-dibutyl-, hydrochloride(7CI,8CI);Phenethyldibutylamine hydrochloride;
PSA 3.24000
LogP 4.93330

Benzeneethanamine, N,N-dibutyl-, hydrochloride (1:1) Specification

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

Product Name

N,N-dibutylphenethylamine hydrochloride

Benzeneethanamine, N,N-dibutyl-, hydrochloride (1:1) Specification

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