CAS No.4033-39-0,L-2,3-Diaminopropionic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4033-39-0
Name:	L-2,3-Diaminopropionic acid
Article Data:	27

Formula:	C₃H₈N₂O₂
Molecular Weight:	104.109
Synonyms:	Propionicacid, 2,3-diamino-, L- (8CI);(S)-2,3-Diaminopropanoic acid;(S)-2,3-Diaminopropionic acid;L-2,3-Diaminopropanoic acid;L-Diaminopropanoic acid;L-a,b-Diaminopropionic acid;L-b-Aminoalanine;NSC 115849;
Density:	1.295 g/cm³
Boiling Point:	325.615 °C at 760 mmHg
Flash Point:	150.727 °C
PSA:	89.34000
LogP:	-0.24240

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Specification

The L-Alanine, 3-amino-, with the CAS registry number 4033-39-0, is also known as L-2,3-Diaminopropionic acid. This chemical's molecular formula is C₃H₈N₂O₂ and molecular weight is 104.11. What's more, both its IUPAC name and systematic name are the same which is called (2S)-2,3 Diaminopropanoic acid.

Physical properties about L-Alanine, 3-amino- are: (1) ACD/LogP: -1.74; (2)# of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): -4.86; (4) ACD/LogD (pH 7.4): -4.27; (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: 4; (10) #H bond donors: 5; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 32.78 Å²; (13) Index of Refraction: 1.522; (14) Molar Refractivity: 24.54 cm³; (15) Molar Volume: 80.4 cm³; (16) Surface Tension: 65.4 dyne/cm; (17) Density: 1.294 g/cm³; (18) Flash Point: 150.7 °C; (19) Enthalpy of Vaporization: 62.42 kJ/mol; (20) Boiling Point: 325.6 °C at 760 mmHg; (21) Vapour Pressure: 4.58E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(N)CN
(2) InChI: InChI=1/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)
(3) InChIKey: PECYZEOJVXMISF-UHFFFAOYAH