Molecular Structure of Azaleucine (CAS NO. 4746-36-5):
IUPAC Name: (2S)-2-Amino-3-(dimethylamino)propanoic acid
Molecular Formula: C5H12N2O2
Molecular Weight: 132.160980 g/mol
XLogP3-AA: -3.3
H-Bond Donor: 2
H-Bond Acceptor: 4
Canonical SMILES: CN(C)CC(C(=O)O)N
Isomeric SMILES: CN(C)C[C@@H](C(=O)O)N
InChI: InChI=1S/C5H12N2O2/c1-7(2)3-4(6)5(8)9/h4H,3,6H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKey: KEZRWUUMKVVUPT-BYPYZUCNSA-N
Index of Refraction: 1.492
Molar Refractivity: 33.99 cm3
Molar Volume: 117 cm3
Surface Tension: 46.1 dyne/cm
Density: 1.129 g/cm3
Flash Point: 83.4 °C
Enthalpy of Vaporization: 49.65 kJ/mol
Boiling Point: 214.3 °C at 760 mmHg
Vapour Pressure of Azaleucine (CAS NO. 4746-36-5): 0.0609 mmHg at 25 °C
1. | oms-esc 100 mmol/L | RCOCB8 Research Communications in Chemical Pathology and Pharmacology. 2 (1971),271. | ||
2. | oms-rat:lvr 100 mmol/L | RCOCB8 Research Communications in Chemical Pathology and Pharmacology. 2 (1971),271. | ||
3. | dni-mus:lym 100 µmol/L | BCPCA6 Biochemical Pharmacology. 21 (1972),1977. | ||
4. | dni-ham:ovr 1 mmol/L | RCOCB8 Research Communications in Chemical Pathology and Pharmacology. 2 (1971),271. |
Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Azaleucine with cas registry number of 4746-36-5 is also called for 3-(Dimethylamino)alanine ; 4-Azaleucine ; 2-Amino-3-dimethylaminopropionic acid ; Alanine, 3-(dimethylamino)- (9CI) ; Propionic acid, 2-amino-3-(dimethylamino)- .
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