Benzyl �minohexanoate Tosylate - CAS 5514-99-8

Catalog:	BB055074
Product Name:	Benzyl �minohexanoate Tosylate
CAS:	5514-99-8
Synonyms:	Benzyl 6-aminohexanoate 4-methylbenzenesulfonate; N-benzo[1,3]dioxol-5-yl-2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide; H-epsilon-ACP-OBzl.TosOH

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	benzyl 6-aminohexanoate4-methylbenzenesulfonic acid
Molecular Weight:	221.30 + 172.20
Molecular Formula:	C13H19NO2·C7H8O3S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CCCCCN
InChI:	InChI=1S/C13H19NO2.C7H8O3S/c14-10-6-2-5-9-13(15)16-11-12-7-3-1-4-8-121-6-2-4-7(5-3-6)11(8,9)10/h1,3-4,7-8H,2,5-6,9-11,14H22-5H,1H3,(H,8,9,10)
InChI Key:	LYALXYNFZAQLQW-UHFFFAOYSA-N
Solubility:	Water
Appearance:	White Solid

Publication Number	Title	Priority Date
WO-2020247297-A1	Glucose-responsive insulin conjugates	20190606
CN-109384715-B	Preparation method of small molecule inhibitor of prostate specific membrane antigen	20181119
CA-3113378-A1	Sulfomaleimide-based linkers and corresponding conjugates	20180927
KR-20210065991-A	Sulfomaleimide-based linkers and corresponding conjugates	20180927
US-2022023438-A1	Sulfomaleimide-based linkers and corresponding conjugates	20180927
EP-3600381-A1	Glucose responsive insulin comprising a tri-valent sugar cluster for treatment of diabetes	20170323
US-2020087375-A1	Glucose responsive insulin comprising a tri-valent sugar cluster for treatment of diabetes	20170323
WO-2018175272-A1	Glucose responsive insulin comprising a tri-valent sugar cluster for treatment of diabetes	20170323
US-11041009-B2	Glucose responsive insulin comprising a tri-valent sugar cluster for treatment of diabetes	20170323
EP-3463413-A1	Insulin receptor partial agonists	20160525

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	395
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	393.16099414
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	393.16099414
Rotatable Bond Count:	9
Topological Polar Surface Area:	115Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0