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L-BETA-HOMOLEUCINE

L-BETA-HOMOLEUCINE structure

CAS No:
22818-43-5
Formula:
C7H15NO2
Chemical Name:
L-BETA-HOMOLEUCINE
Synonyms:
L-BETA-HOMOLEUCINE;(S)-3-amino-5-methylhexanoic acid HCl;H-LEU-(C*CH2)OH;Boc-L-beta-Homo-Leu;REF DUPL: L-beta-Homoleucine;Hexanoic acid, 3-amino-5-methyl-, (3S)-;(3S)-3-AMINO-5-METHYL-HEXANOIC ACID;(S)-3-AMINO-5-METHYL-HEXANOIC ACID
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

(S)-3-Amino-5-methylhexanoic acid is an organooxygen compound and an organonitrogen compound. It derives from a beta-amino acid.

L-BETA-HOMOLEUCINE Basic Attributes

Molecular Weight：

145.2

Exact Mass：

145.110278721

DSSTox ID：

DTXSID70375813

Characteristics

Density：

1.014±0.06 g/cm3

Melting Point：

222-224 °C

Boiling Point：

249.1±23.0 °C(Predicted)

PKA：

3.81±0.10

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:145.20
XLogP3:-1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:145.110278721
Monoisotopic Mass:145.110278721
Topological Polar Surface Area:63.3
Heavy Atom Count:10
Complexity:112
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes