Pentanoic acid,3-amino-4-methyl- supplier

Name
3-AMINO-4-METHYLPENTANOIC ACID
EINECS
CAS No. 5699-54-7
Article Data2
CAS DataBase
Density 1.035 g/cm³
Solubility soluble in water
Melting Point 206-209 °C
Formula C₆H₁₃NO₂
Boiling Point 232 °C at 760 mmHg
Molecular Weight 131.175
Flash Point 94.1 °C
Transport Information
Appearance white fine crystalline powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Valericacid, 3-amino-4-methyl- (6CI,8CI);(?à)-3-Amino-4-methylpentanoic acid;3-Amino-4-methylpentanoic acid;DL-b-Leucine;b-Aminoisocaproicacid;b-Leucine;
PSA 63.32000
LogP 1.14470

Pentanoic acid,3-amino-4-methyl- Specification

The Pentanoic acid,3-amino-4-methyl-, with CAS registry number 5699-54-7, has the systematic name of 3-amino-4-methylpentanoic acid. This chemical is a kind of white fine crystalline powder. When use this chemical, please avoid contact with skin and eyes. And the chemical formula of this chemical is C₆H₁₃NO₂.

Physical properties of Pentanoic acid,3-amino-4-methyl-: (1)ACD/LogP: 0.37; (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: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.54 Å²; (11)Index of Refraction: 1.462; (12)Molar Refractivity: 34.86 cm³; (13)Molar Volume: 126.6 cm³; (14)Polarizability: 13.82×10^-24cm³; (15)Surface Tension: 39 dyne/cm; (16)Density: 1.035 g/cm³; (17)Flash Point: 94.1 °C; (18)Enthalpy of Vaporization: 51.63 kJ/mol; (19)Boiling Point: 232 °C at 760 mmHg; (20)Vapour Pressure: 0.0212 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(N)C(C)C
(2)InChI: InChI=1/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
(3)InChIKey: GLUJNGJDHCTUJY-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
(5)Std. InChIKey: GLUJNGJDHCTUJY-UHFFFAOYSA-N

Product Name

3-AMINO-4-METHYLPENTANOIC ACID

Pentanoic acid,3-amino-4-methyl- Specification

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