Products Categories
| CAS No.: | 16856-13-6 |
|---|---|
| Name: | beta-Methyl L-aspartate hydrochloride |
| Article Data: | 19 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H9NO4.HCl |
| Molecular Weight: | 183.592 |
| Synonyms: | Asparticacid, 4-methyl ester, hydrochloride, L- (6CI,7CI,8CI);L-Aspartic acid,4-methyl ester, hydrochloride (9CI);L-Aspartic acid b-methyl ester hydrochloride;H-Asp(OMe)-OH·HCl; |
| EINECS: | 240-880-5 |
| Density: | 1.299g/cm3 |
| Melting Point: | 191-193 °C |
| Boiling Point: | 301.7 °C at 760mmHg |
| Flash Point: | 136.3 °C |
| Safety: | 24/25 |
| PSA: | 89.62000 |
| LogP: | 0.46370 |
- 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
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
What can I do for you?
Get Best Price
Specification
The L-Aspartic acid,4-methyl ester, hydrochloride (1:1) is an organic compound with the formula C5H9NO4.HCl. The IUPAC name of this chemical is 2-amino-4-methoxy-4-oxobutanoic acid hydrochloride. With the CAS registry number 16856-13-6, it is also named as 4-Methyl hydrogen L-aspartate HCl. The product's categories are Aspartic acid [Asp, D]; Amino Acids and Derivatives; Amino hydrochloride; A - H; Amino Acids; Modified Amino Acids. It is used as peptide reagent.
The other characteristics of L-Aspartic acid,4-methyl ester, hydrochloride (1:1) can be summarized as: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Flash Point: 136.3 °C; (13)Enthalpy of Vaporization: 59.61 kJ/mol; (14)Boiling Point: 301.7 °C at 760 mmHg; (15)Vapour Pressure: 0.000242 mmHg at 25°C; (16)Rotatable Bond Count: 4; (17)Exact Mass: 183.029836; (18)MonoIsotopic Mass: 183.029836; (19)Topological Polar Surface Area: 89.6; (20)Heavy Atom Count: 11; (21)Complexity: 145.
People can use the following data to convert to the molecule structure.
1. SMILES:Cl.O=C(OC)C[C@H](N)C(O)=O
2. InChI:InChI=1/C5H9NO4.ClH/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);1H/t3-;/m0./s1