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70419-10-2

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Basic Information
CAS No.: 70419-10-2
Name: (S)-2-AMINO-6-METHYLHEPTANE
Article Data: 14
Molecular Structure:
Molecular Structure of 70419-10-2 ((S)-2-AMINO-6-METHYLHEPTANE)
Formula: C8H19
Molecular Weight: 129.246
Synonyms: 2-Heptanamine,6-methyl-, (S)-;(+)-1,5-Dimethylhexylamine;(+)-2-Amino-6-methylheptane;(+)-6-Methyl-2-heptanamine;(2S)-6-Methyl-2-heptanamine;(S)-(+)-6-Methyl-2-heptylamine;(S)-2-Amino-6-methylheptane;
EINECS: 274-598-9
Density: 0.783 g/cm3
Melting Point: 11.43°C (estimate)
Boiling Point: 155 °C at 760 mmHg
Flash Point: 48.9 °C
Hazard Symbols: R10:Flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 26.02000
LogP: 2.47010
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Specification

The 2-Heptanamine,6-methyl-, (2S)-, with the CAS registry number 70419-10-2, has the systematic name and IUPAC name of 6-methylheptan-2-amine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H19N.

The characteristics of 2-Heptanamine,6-methyl-, (2S)- are as followings: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -0.3; (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: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 42.56 cm3; (15)Molar Volume: 165 cm3; (16)Polarizability: 16.87×10-24cm3; (17)Surface Tension: 26.4 dyne/cm; (18)Density: 0.783 g/cm3; (19)Flash Point: 48.9 °C; (20)Enthalpy of Vaporization: 39.17 kJ/mol; (21)Boiling Point: 155 °C at 760 mmHg; (22)Vapour Pressure: 3.09 mmHg at 25°C.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: NC(C)CCCC(C)C
(2)InChI: InChI=1/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3
(3)InChIKey: QNIVIMYXGGFTAK-UHFFFAOYAS