Ethyl isocyanopropionate - CAS 2920-08-3

Catalog:	BB020125
Product Name:	Ethyl isocyanopropionate
CAS:	2920-08-3
Synonyms:	Propanoic acid, 3-isocyano-, ethyl ester; Propionic acid, 3-isocyano-, ethyl ester; 3-Isocyanopropanoic acid ethyl ester

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3-isocyanopropanoate
Molecular Weight:	127.14
Molecular Formula:	C6H9NO2
Canonical SMILES:	CCOC(=O)CC[N+]#[C-]
InChI:	InChI=1S/C6H9NO2/c1-3-9-6(8)4-5-7-2/h3-5H2,1H3
InChI Key:	OWGWPQZQJKIGCB-UHFFFAOYSA-N
Boiling Point:	39-40°C
Purity:	≥95%
Density:	0.999 g/mL at 25°C
Storage:	Store at 2-8°C
MDL:	MFCD02664655
LogP:	0.08960

Publication Number	Title	Priority Date
CN-112824438-A	Novel synthesis method of polyimide	20191120
US-2020109121-A1	Ionizable lipidoids and their uses	20180831
TW-201835278-A	Optical transparent adhesive sheet, method for manufacturing optical transparent adhesive sheet, laminated body and laminated structure	20170131
TW-201817844-A	Optically clear adhesive sheet, laminate, and display device with touch panel	20161111
AU-2017292646-A1	Calpain modulators and therapeutic uses thereof	20160705

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

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.063328530
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	127.063328530
Rotatable Bond Count:	4
Topological Polar Surface Area:	30.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1