CAS No.44745-29-1,(S)-(+)-2-AMINOHEPTANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	44745-29-1
Name:	(S)-(+)-2-AMINOHEPTANE
Article Data:	35

Formula:	C₇H₁₇N
Molecular Weight:	115.219
Synonyms:	2-Heptanamine,(S)-;(+)-2-Aminoheptane;(+)-2-Heptylamine;(S)-(+)-2-Aminoheptane;(S)-2-Aminoheptane;(S)-2-Heptanamine;(S)-2-Heptylamine;d-2-Aminoheptane;
EINECS:	-0
Density:	0.766
Melting Point:	<-70°C
Boiling Point:	145.4 °C at 760 mmHg
Flash Point:	54.4 °C
Solubility:	Soluble in water (5g/L at 20°C)
Hazard Symbols:	Xi
Risk Codes:	36/37/38-10
Safety:	37/39-26-16-36
Transport Information:	UN 1993
PSA:	26.02000
LogP:	2.61420

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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