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2643-66-5

Basic Information
CAS No.: 2643-66-5
Name: Butanoic acid, 2,3-diamino-
Article Data: 1
Cas Database
Molecular Structure:
Molecular Structure of 2643-66-5 (Butanoic acid, 2,3-diamino-)
Formula: C4H10N2O2
Molecular Weight: 118.13
Synonyms: Butyricacid, 2,3-diamino- (6CI,7CI,8CI);2,3-Diaminobutanoic acid;2,3-Diaminobutyricacid;a,b-Diaminobutyric acid;
EINECS: N/A
Density: 1.214 g/cm3
Melting Point: 178 °C (decomp)
Boiling Point: 293.4 °C at 760 mmHg
Flash Point: 131.2 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 89.34000
LogP: 0.14610
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Specification

This chemical is called Butanoic acid, 2,3-diamino-, and its systematic name is 2,3-diaminobutanoic acid. With the molecular formula of C4H10N2O2, its molecular weight is 118.13. The CAS registry number of this chemical is 2643-66-5.

Other characteristics of the Butanoic acid, 2,3-diamino- can be summarised as followings: (1)ACD/LogP: -1.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.63; (4)ACD/LogD (pH 7.4): -3.94; (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: 1.51; (14)Molar Refractivity: 29.13 cm3; (15)Molar Volume: 97.2 cm3; (16)Polarizability: 11.54×10-24cm3; (17)Surface Tension: 55.8 dyne/cm; (18)Density: 1.214 g/cm3; (19)Flash Point: 131.2 °C; (20)Enthalpy of Vaporization: 58.63 kJ/mol; (21)Boiling Point: 293.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000425 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(N)C(N)C
2.InChI: InChI=1/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)
3.InChIKey: SXGMVGOVILIERA-UHFFFAOYAG