CAS No.49642-07-1,STATINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	49642-07-1
Name:	STATINE
Article Data:	34

Formula:	C₈H₁₇NO₃
Molecular Weight:	175.228
Synonyms:	Heptanoicacid, 4-amino-3-hydroxy-6-methyl-, [S-(R,R)]-;(-)-(3S,4S)-4-Amino-3-hydroxy-6-methylheptanoic acid;(3S,4S)-4-Amino-3-hydroxy-6-methylheptanoic acid;(3S,4S)-Statine;(S,S)-Statine;Statine;
Density:	1.112 g/cm³
Melting Point:	209 °C
Boiling Point:	355.1 °C at 760 mmHg
Flash Point:	168.5 °C
Solubility:	0.5 M HCl: 50 mg/mL, clear, very faintly yellow
Appearance:	white powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	83.55000
LogP:	0.89570

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Specification

The Heptanoic acid,4-amino-3-hydroxy-6-methyl-, (3S,4S)-, with the CAS registry number 49642-07-1, has the IUPAC name of (3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid. It is a kind of white powder, and belongs to the product category of Amino Acids. And the molecular formula of the chemical is C₈H₁₇NO₃.

The characteristics of Heptanoic acid,4-amino-3-hydroxy-6-methyl-, (3S,4S)- are as followings: (1)ACD/LogP: 0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.47; (4)ACD/LogD (pH 7.4): -2.47; (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: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 45.62 cm³; (15)Molar Volume: 157.5 cm³; (16)Polarizability: 18.08×10^-24cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.112 g/cm³; (19)Flash Point: 168.5 °C; (20)Enthalpy of Vaporization: 69.48 kJ/mol; (21)Boiling Point: 355.1 °C at 760 mmHg; (22)Vapour Pressure: 1.83E-06 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)CC(C(CC(=O)O)O)N
(2)InChI: InChI=1S/C8H17NO3/c1-5(2)3-6(9)7(10)4-8(11)12/h5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1
(3)InChIKey: DFVFTMTWCUHJBL-BQBZGAKWSA-N