2D

3D

Save

Zoom

2-amino-4-methyl-pentanoic acid hydrate hydrochloride

ChemSpider ID: 21150562
Molecular Formula: C₆H₁₆ClNO₃
Monoisotopic mass: 185.082000732422 Da
Systematic name

2-amino-4-methyl-pentanoic acid hydrate hydrochloride
SMILES and InChIs

SMILES:

Cl.O.CC(C)CC(N)C(O)=O Copied

Std. InChI:

InChI=1S/C6H13NO2.ClH.H2O/c1-4(2)3-5(7)6(8)9;;/h4-5H,3,7H2,1-2H3,(H,8,9);1H;1H2 Copied

Std. InChIKey:

BTFHQSOXEPTSNP-UHFFFAOYSA-N Copied

ChemSpider Searches

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:	1
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:	5
#Freely Rotating Bonds:	4	Polar Surface Area:	63.32 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	162.5 °C	Enthalpy of Vaporization:	65.9 kJ/mol
Boiling Point:	345.1 °C at 760 mmHg	Vapour Pressure:	7.95E-06 mmHg at 25°C

Click to predict properties on the Chemicalize site

Spectra

CIFs

Patents

Pharmacological Links

Feedback Form