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Benzenemethanol,α-(1-aminopropyl)-

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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 Molecular Structure of 5897-76-7 (2-Amino-1-phenyl-butanol) Hazard Symbols N/A
Synonyms

Benzylalcohol,α-(1-aminopropyl)- (8CI);NSC41764;α-(α-Aminopropyl)benzyl alcohol;2-Amino-1-phenyl-butanol;

Article Data 13

Benzenemethanol,α-(1-aminopropyl)- Specification

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,

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