Decyl isocyanate - CAS 1191-69-1

Catalog:	BB004424
Product Name:	Decyl isocyanate
CAS:	1191-69-1
Synonyms:	1-isocyanatodecane

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-isocyanatodecane
Description:	Decyl isocyanate (CAS# 1191-69-1) is a useful research chemical compound.
Molecular Weight:	183.29
Molecular Formula:	C11H21NO
Canonical SMILES:	CCCCCCCCCCN=C=O
InChI:	InChI=1S/C11H21NO/c1-2-3-4-5-6-7-8-9-10-12-11-13/h2-10H2,1H3
InChI Key:	XFEWMFDVBLLXFE-UHFFFAOYSA-N
Boiling Point:	85-89 °C (lit.)
Purity:	95 %
Density:	0.880 g/mL at 25°C(lit.)
MDL:	MFCD03427173
LogP:	3.46290

Publication Number	Title	Priority Date
CN-113332305-A	Lipid composition of cytidine compound	20210603
CN-113336816-A	Cytidine compounds and antitumor application thereof	20210603
CN-112618550-A	Antineoplastic uracil compound and lipid composition thereof	20210115
CN-112322034-A	Anti-yellowing nylon composite material and preparation method thereof	20201015
EP-3885384-A1	Method for the production of thermoplastic polyoxazolidinones	20200324

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.162314293
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.162314293
Rotatable Bond Count:	9
Topological Polar Surface Area:	29.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.5