Hexanoic acid,3-amino-5-methyl- supplier

Name
3-AMINO-5-METHYLHEXANOIC ACID
EINECS
CAS No. 3653-34-7
Article Data4
CAS DataBase
Density 1.014 g/cm³
Solubility
Melting Point 222-228 °C (dec.)
Formula C₇H₁₅NO₂
Boiling Point 249.1 °C at 760 mmHg
Molecular Weight 145.202
Flash Point 104.5 °C
Transport Information
Appearance white crystals
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms Hexanoic acid, 3-amino-5-methyl-;3-amino-5-methylhexanoic acid;
PSA 63.32000
LogP 1.53480

Hexanoic acid,3-amino-5-methyl- Specification

The Hexanoic acid,3-amino-5-methyl-, with the CAS registry number 3653-34-7, has the systematic name of 3-amino-5-methylhexanoic acid. It is a kind of white crystals, and should be stored at dry and cool environment. The molecular formula of the chemical is C₇H₁₅NO₂.

The characteristics of Hexanoic acid,3-amino-5-methyl- are as followings: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.61; (4)ACD/LogD (pH 7.4): -1.6; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 39.49 cm³; (15)Molar Volume: 143.1 cm³; (16)Polarizability: 15.65×10^-24cm³; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.014 g/cm³; (19)Flash Point: 104.5 °C; (20)Enthalpy of Vaporization: 53.55 kJ/mol; (21)Boiling Point: 249.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00744 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause sensitization by skin contact. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CC(N)CC(C)C
(2)InChI: InChI=1/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)
(3)InChIKey: MLYMSIKVLAPCAK-UHFFFAOYAR

Product Name

3-AMINO-5-METHYLHEXANOIC ACID

Hexanoic acid,3-amino-5-methyl- Specification

Related Products

Hot Products