Molecular Structure of Methyl 7-aminoheptanoate (CAS NO.17994-94-4):
Systematic Name: Methyl 7-aminoheptanoate
Molecular Formula: C8H17NO2
Molecular Weight: 159.23
CAS Registry Number: 17994-94-4
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 8
Index of Refraction: 1.442
Molar Refractivity: 44.422 cm3
Molar Volume: 167.749 cm3
Surface Tension: 33.708 dyne/cm
Density: 0.949 g/cm3
Flash Point: 80.734 °C
Enthalpy of Vaporization: 44.77 kJ/mol
Boiling Point: 211.409 °C at 760 mmHg
Vapour Pressure: 0.183 mmHg at 25 °C
SMILES: COC(=O)CCCCCCN
InChI: InChI=1/C8H17NO2/c1-11-8(10)6-4-2-3-5-7-9/h2-7,9H2,1H3
InChIKey: AZRQWZVPEAHOOA-UHFFFAOYAH
Methyl 7-aminoheptanoate (CAS NO.17994-94-4), its Synonyms are Heptanoic acid,7-amino-, methyl ester, hydrochloride (1:1) ; Heptanoicacid, 7-amino-, methyl ester, hydrochloride (8CI,9CI) ; 7-Aminoheptanoic acidmethyl ester hydrochloride ; Methyl 7-aminoheptanoate hydrochloride ; 7-Amino-heptanoic acid methyl ester .
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