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Name |
Benzenemethanol,α-(1-aminopropyl)- |
EINECS | N/A |
CAS No. | 5897-76-7 | Density | 1.048g/cm3 |
PSA | 46.25000 | LogP | 2.15760 |
Solubility | N/A | Melting Point |
79.5℃ |
Formula | C10H15NO | Boiling Point | 302.4 °C at 760 mmHg |
Molecular Weight | 165.235 | Flash Point | 136.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzylalcohol,α-(1-aminopropyl)- (8CI);NSC41764;α-(α-Aminopropyl)benzyl alcohol;2-Amino-1-phenyl-butanol; |
Article Data | 13 |
The Benzenemethanol, α-(1-aminopropyl)-, with the CAS registry number 5897-76-7, is also known as 2-Amino-1-phenyl-butanol. This chemical's molecular formula is C10H15NO and molecular weight is 165.2322. What's more, its IUPAC name is 2-Amino-1-phenylbutan-1-ol.
Physical properties about Benzenemethanol, α-(1-aminopropyl)- are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.69; (4)ACD/LogD (pH 7.4): -0.59; (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): 1.49; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 50.09 cm3; (15)Molar Volume: 157.5 cm3; (16)Polarizability: 19.86×10-24 cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.048 g/cm3; (19)Flash Point: 136.7 °C; (20)Enthalpy of Vaporization: 57.3 kJ/mol; (21)Boiling Point: 302.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000438 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1ccccc1)C(N)CC
(2) InChI: InChI=1/C10H15NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9-10,12H,2,11H2,1H3
(3) InChIKey: UOZNVPFVNBRISY-UHFFFAOYAA
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | National Technical Information Service. Vol. AD277-689, |