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2-Amino-1-butanol acetate hydrochloride (1:1:1)

ChemSpider ID: 15578258
Molecular Formula: C₆H₁₆ClNO₃
Monoisotopic mass: 185.081863 Da
Systematic name

2-Amino-1-butanol acetate hydrochloride (1:1:1)
SMILES and InChIs

SMILES:

Cl.OC(=O)C.CCC(N)CO Copied

Std. InChI:

InChI=1S/C4H11NO.C2H4O2.ClH/c1-2-4(5)3-6;1-2(3)4;/h4,6H,2-3,5H2,1H3;1H3,(H,3,4);1H Copied

Std. InChIKey:

GSENZFYQOZJIIJ-UHFFFAOYSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:		# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	4	#H bond donors:	4
#Freely Rotating Bonds:	4	Polar Surface Area:	83.55 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	172.5 °C	Enthalpy of Vaporization:	70.32 kJ/mol
Boiling Point:	361.7 °C at 760 mmHg	Vapour Pressure:	1.08E-06 mmHg at 25°C

Click to predict properties on the Chemicalize site

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