b-Alanine, N,N-bis(phenylmethyl)- supplier

Name
N,N-dibenzyl-beta-alanine
EINECS
CAS No. 19812-58-9
Density 1.149 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₉NO₂
Boiling Point 411.1 °C at 760 mmHg
Molecular Weight 269.3383
Flash Point 202.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms b-Alanine, N,N-dibenzyl- (8CI);NSC 163863;N,N-Dibenzyl-β-alanine;
PSA
LogP

b-Alanine, N,N-bis(phenylmethyl)- Specification

The b-Alanine, N,N-bis(phenylmethyl)-, with the CAS registry number 19812-58-9, is also known as b-Alanine, N,N-dibenzyl- (8CI) and N,N-Dibenzyl-β-alanine. This chemical's molecular formula is C₁₇H₁₉NO₂ and molecular weight is 269.3383. What's more, its IUPAC name is 3-(Dibenzylamino)propanoic acid.

Physical properties about the b-Alanine, N,N-bis(phenylmethyl)- are: (1) ACD/LogP: 3.65; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.26; (4) ACD/LogD (pH 7.4): 1.05; (5) ACD/BCF (pH 5.5): 1.42; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 9.34; (8) ACD/KOC (pH 7.4): 5.73; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 29.54 Å²; (13) Index of Refraction: 1.593; (14) Molar Refractivity: 79.47 cm³; (15) Molar Volume: 234.3 cm³; (16) Polarizability: 31.5×10^-24cm³; (17) Surface Tension: 49.8 dyne/cm; (18) Density: 1.149 g/cm³; (19) Flash Point: 202.4 °C; (20) Enthalpy of Vaporization: 69.96 kJ/mol; (21) Boiling Point: 411.1 °C at 760 mmHg; (22) Vapour Pressure: 1.7E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCN(Cc1ccccc1)Cc2ccccc2
(2) InChI: InChI=1/C17H19NO2/c19-17(20)11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,20)
(3) InChIKey: FJPCUHVZSZCDJC-UHFFFAOYAE

Product Name

N,N-dibenzyl-beta-alanine

b-Alanine, N,N-bis(phenylmethyl)- Specification

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