Dimethyl suberimidate dihydrochloride - CAS 34490-86-3

Catalog:	BB022156
Product Name:	Dimethyl suberimidate dihydrochloride
CAS:	34490-86-3
Synonyms:	dimethyl octanediimidate;dihydrochloride

Technical Data

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Computed Properties

IUPAC Name:	dimethyl octanediimidate;dihydrochloride
Description:	Dimethyl suberimidate dihydrochloride (CAS# 34490-86-3) is a useful research chemical.
Molecular Weight:	273.20
Molecular Formula:	C10H22Cl2N2O2
Canonical SMILES:	COC(=N)CCCCCCC(=N)OC.Cl.Cl
InChI:	InChI=1S/C10H20N2O2.2ClH/c1-13-9(11)7-5-3-4-6-8-10(12)14-2;;/h11-12H,3-8H2,1-2H3;2*1H
InChI Key:	ILKCDNKCNSNFMP-UHFFFAOYSA-N
Boiling Point:	247.4 ℃ at 760 mmHg
Density:	1 g/cm³
Appearance:	White amorphous powder
MDL:	MFCD00012574
LogP:	4.37780

Publication Number	Title	Priority Date
US-2021048436-A1	Homogeneous enzyme immunoassay for keratinized structures	20190815
WO-2021030729-A1	Homogeneous enzyme immunoassay for keratinized structures	20190815
EP-3808760-A1	Compound comprising substance having affinity for antibody, cleavage site and reactive group, or salt thereof	20180614
EP-3811978-A1	Substance having affinity for antibody, and compound or salt thereof having bioorthogonal functional group	20180614
US-2021139541-A1	Compound having affinity substance to antibody and bioorthogonal functional group, or salt thereof	20180614

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.1058333
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	272.1058333
Rotatable Bond Count:	9
Topological Polar Surface Area:	66.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0