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5854-94-4

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Basic Information
CAS No.: 5854-94-4
Name: D,L-2-Amino-3-(hydroxyamino)propionic acid
Article Data: 8
Molecular Structure:
Molecular Structure of 5854-94-4 (D,L-2-Amino-3-(hydroxyamino)propionic acid)
Formula: C3H8N2O3
Molecular Weight: 120.11
Synonyms: D,L-2-Amino-3-hydroxyamino-propionsaeure;2-amino-3-carboxymuconic acid 6-semialdehyde;2-Amino-3-hydroxylamino-propionsaeure;2-amino-3-hydroxylaminopropionic acid;
Density: 1.446 g/cm3
Melting Point: 172-174°C
Boiling Point: 392.8 °C at 760 mmHg
Flash Point: 191.4 °C
Appearance: Off-White Solid
PSA: 95.58000
LogP: -0.53170
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Specification

The D,L-2-Amino-3-(hydroxyamino)propionic acid has CAS registry number 5854-94-4. It belongs to the product categories of Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives. This chemical's molecular formula is C3H8N2O3 and molecular weight is 120.11. What's more, its systematic name is 3-(hydroxyamino)alanine.

Physical properties of D,L-2-Amino-3-(hydroxyamino)propionic acid are: (1)ACD/LogP: -0.75; (2)# of Rule of 5 Violations: 1; (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: 5; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 42.01 Å2; (11)Index of Refraction: 1.541; (12)Molar Refractivity: 26.13 cm3; (13)Molar Volume: 83 cm3; (14)Polarizability: 10.36×10-24cm3; (15)Surface Tension: 74.9 dyne/cm; (16)Density: 1.446 g/cm3; (17)Flash Point: 191.4 °C; (18)Enthalpy of Vaporization: 74.3 kJ/mol; (19)Boiling Point: 392.8 °C at 760 mmHg; (20)Vapour Pressure: 8.48E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)CNO
(2)Std. InChI: InChI=1S/C3H8N2O3/c4-2(1-5-8)3(6)7/h2,5,8H,1,4H2,(H,6,7)
(3)Std. InChIKey: VIFOGXGRPDRQHS-UHFFFAOYSA-N