Benzeneacetic acid, a-(butylamino)- supplier

Name
2-butylamino-2-phenyl-acetic acid
EINECS
CAS No. 5472-06-0
Density 1.076 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NO₂
Boiling Point 321.3 °C at 760 mmHg
Molecular Weight 207.272
Flash Point 148.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glycine, N-butyl-2-phenyl- (6CI);N-Butyl-2-phenylglycine;NSC 24611;(Butylamino)(phenyl)acetic acid;
PSA 49.33000
LogP 2.59290

Benzeneacetic acid, a-(butylamino)- Specification

The Benzeneacetic acid, a-(butylamino)-, with the CAS registry number 5472-06-0, has the systematic name of (butylamino)(phenyl)acetic acid. And the molecular formula of this chemical is C₁₂H₁₇NO₂. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Benzeneacetic acid, a-(butylamino)- are as following: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): 0.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.1; (8)ACD/KOC (pH 7.4): 3.04; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 59.49 cm³; (15)Molar Volume: 192.4 cm³; (16)Polarizability: 23.58×10^-24cm³; (17)Surface Tension: 42.5 dyne/cm; (18)Density: 1.076 g/cm³; (19)Flash Point: 148.1 °C; (20)Enthalpy of Vaporization: 59.44 kJ/mol; (21)Boiling Point: 321.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000124 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NCCCC)c1ccccc1
(2)InChI: InChI=1/C12H17NO2/c1-2-3-9-13-11(12(14)15)10-7-5-4-6-8-10/h4-8,11,13H,2-3,9H2,1H3,(H,14,15)
(3)InChIKey: HHBSIIRCNFRFSW-UHFFFAOYAP

Product Name

2-butylamino-2-phenyl-acetic acid

Benzeneacetic acid, a-(butylamino)- Specification

Related Products

Hot Products