Products Categories
| CAS No.: | 331-38-4 |
|---|---|
| Name: | L-Balenine |
| Molecular Structure: | |
|
|
|
| Formula: | C10H16N4O3 |
| Molecular Weight: | 240.262 |
| Synonyms: | Balenine(7CI);Histidine, N-b-alanyl-1-methyl-, L- (8CI);L-Histidine, N-b-alanyl-1-methyl-;N(beta)-Alanyl-1-methyl-histidine;β-Alanyl-1-methyl-L-histidine;3-Aminopropanoyl (2S)-2-amino-3-(1-methylimidazol-4-yl)propanoate; |
| Density: | 1.388 g/cm3 |
| Boiling Point: | 611.253 °C at 760 mmHg |
| Flash Point: | 323.474 °C |
| PSA: | 113.23000 |
| LogP: | 0.10910 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 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
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
What can I do for you?
Get Best Price
Specification
The L-Histidine, β-alanyl-1-methyl-, with the CAS registry number 331-38-4, is also known as 3-Aminopropanoyl (2S)-2-amino-3-(1-methylimidazol-4-yl)propanoate. This chemical's molecular formula is C10H16N4O3 and molecular weight is 240.26. What's more, its systematic name is β-alanyl-1-methyl-L-histidine.
Physical properties of L-Histidine, β-alanyl-1-methyl- are: (1)ACD/LogP: -2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 110.24 Å2; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 60.43 cm3; (13)Molar Volume: 173.109 cm3; (14)Polarizability: 23.956×10-24cm3; (15)Surface Tension: 57.141 dyne/cm; (16)Density: 1.388 g/cm3; (17)Flash Point: 323.474 °C; (18)Enthalpy of Vaporization: 95.427 kJ/mol; (19)Boiling Point: 611.253 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C=C(N=C1)CC(C(=O)OC(=O)CCN)N
(2)Isomeric SMILES: CN1C=C(N=C1)C[C@@H](C(=O)OC(=O)CCN)N
(3)InChI: InChI=1S/C10H16N4O3/c1-14-5-7(13-6-14)4-8(12)10(16)17-9(15)2-3-11/h5-6,8H,2-4,11-12H2,1H3/t8-/m0/s1
(4)InChIKey: QAWKDPXGVJMDHM-QMMMGPOBSA-N