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(S)-(+)-2-Aminoheptane

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Name

(S)-(+)-2-Aminoheptane

EINECS -0
CAS No. 44745-29-1 Density 0.766
PSA 26.02000 LogP 2.61420
Solubility Soluble in water (5g/L at 20°C) Melting Point <-70°C
Formula C7H17N Boiling Point 145.4 °C at 760 mmHg
Molecular Weight 115.219 Flash Point 54.4 °C
Transport Information UN 1993 Appearance N/A
Safety 37/39-26-16-36 Risk Codes 36/37/38-10
Molecular Structure Molecular Structure of 44745-29-1 ((S)-(+)-2-AMINOHEPTANE) Hazard Symbols IrritantXi
Synonyms

2-Heptanamine,(S)-;(+)-2-Aminoheptane;(+)-2-Heptylamine;(S)-(+)-2-Aminoheptane;(S)-2-Aminoheptane;(S)-2-Heptanamine;(S)-2-Heptylamine;d-2-Aminoheptane;

Article Data 35

(S)-(+)-2-Aminoheptane Specification

The CAS register number of (S)-(+)-2-Aminoheptane is 44745-29-1. It also can be called as 2-heptanamine, (2S)- and the systematic name about this chemical is (2S)-heptan-2-amine.

Physical properties about (S)-(+)-2-Aminoheptane are: (1)ACD/LogP: 2.34 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.76 ; (4)ACD/LogD (pH 7.4): -0.65 ; (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: 3.24Å2; (13)Index of Refraction: 1.426; (14)Molar Refractivity: 37.97 cm3; (15)Molar Volume: 148.1 cm3; (16)Surface Tension: 26.8 dyne/cm; (17)Density: 0.777 g/cm3; (18)Flash Point: 54.4 °C; (19)Enthalpy of Vaporization: 38.25 kJ/mol; (20)Boiling Point: 145.4 °C at 760 mmHg; (21)Vapour Pressure: 4.86 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin and flammable. People must wear suitable gloves and eye/face protection and suitable protective clothing  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And keep it away from sources of ignition.

People can use the following data to convert to the molecule structure.
1.SMILES: N[C@@H](C)CCCCC
2.InChI: InChI=1/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/t7-/m0/s1 
3.InChIKey: VSRBKQFNFZQRBM-ZETCQYMHBW
4.Std. InChI: InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/t7-/m0/s1

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