Products Categories
| CAS No.: | 117391-56-7 |
|---|---|
| Name: | 3-(2,3-DICHLOROPHENYL)-BETA-ALANINE |
| Molecular Structure: | |
|
|
|
| Formula: | C9H9Cl2NO2 |
| Molecular Weight: | 234.082 |
| Synonyms: | BIO-FARMA BF000142;DL-3-AMINO-3-(2,3-DICHLORO-PHENYL)-PROPIONIC ACID;3-AMINO-3-(2,3-DICHLOROPHENYL)PROPANOIC ACID;3-AMINO-3-(2,3-DICHLORO-PHENYL)-PROPIONIC ACID;3-(2,3-DICHLOROPHENYL)-BETA-ALANINE;RARECHEM AK HC T314;VITAS-BB TBB000171 |
| Density: | 1.447 g/cm3 |
| Melting Point: | 232-235 |
| Boiling Point: | 363 °C at 760 mmHg |
| Flash Point: | 173.3 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 63.32000 |
| LogP: | 3.16820 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
- Total:18 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The Benzenepropanoic acid, b-amino-2,3-dichloro-, with its CAS registry number 117391-56-7, has the IUPAC name of (3S)-3-azaniumyl-3-(2,3-dichlorophenyl)propanoate. With its molecular foumula of C9H9Cl2NO2, it has the formula weight of 234.08. For being irritating to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes.
The characteristics of Benzenepropanoic acid, b-amino-2,3-dichloro- are as follows: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.51; (4)ACD/LogD (pH 7.4): -0.57; (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; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 55.32 cm3; (15)Molar Volume: 161.7 cm3; (16)Polarizability: 21.93×10-24cm3; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.447 g/cm3; (19)Flash Point: 173.3 °C; (20)Enthalpy of Vaporization: 64.26 kJ/mol; (21)Boiling Point: 363 °C at 760 mmHg; (22)Vapour Pressure: 6.62E-06 mmHg at 25°C; (23)Exact Mass: 233.001034; (24)MonoIsotopic Mass: 233.001034; (25)Topological Polar Surface Area: 67.8; (26)Heavy Atom Count: 14; (27)Complexity: 208; (28)Defined Atom StereoCenter Count: 1; (29)Covalently-Bonded Unit Count: 1.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Clc1c(cccc1Cl)C(N)CC(=O)O
(2)InChI:InChI=1/C9H9Cl2NO2/c10-6-3-1-2-5(9(6)11)7(12)4-8(13)14/h1-3,7H,4,12H2,(H,13,14)
(3)InChIKey:GQKLESLYMHWBOP-UHFFFAOYAS