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tert-Butyl N-(2-oxiranylmethyl)carbamate

tert-Butyl N-(2-oxiranylmethyl)carbamate - CAS 115198-80-6

Catalog:	BB003504
Product Name:	tert-Butyl N-(2-oxiranylmethyl)carbamate
CAS:	115198-80-6
Synonyms:	tert-butyl N-(oxiran-2-ylmethyl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(oxiran-2-ylmethyl)carbamate
Description:	tert-Butyl N-(2-oxiranylmethyl)carbamate (CAS# 115198-80-6) is a useful research chemical.
Molecular Weight:	173.21
Molecular Formula:	C8H15NO3
Canonical SMILES:	CC(C)(C)OC(=O)NCC1CO1
InChI:	InChI=1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)
InChI Key:	ZBBGKXNNTNBRBH-UHFFFAOYSA-N
Boiling Point:	262.908 ℃ at 760 mmHg
Purity:	95 %
Density:	1.041 g/mL at 25 ℃ (lit.)
Storage:	Sealed in dry, 2-8 ℃
MDL:	MFCD05664375
LogP:	1.30080

Publication Number	Title	Priority Date
WO-2021207793-A1	Fluorescent macromolecule and uses thereof	20200415
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
CN-113348181-A	DC-SIGN antibody conjugates comprising a STING agonist	20181031
US-2021170043-A1	Dc-sign antibody conjugates comprising sting agonists	20181031
US-11077101-B1	Compounds and methods of use	20180718

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Related Functional Groups

Oxygen Compounds

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[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one

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

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.10519334
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.10519334
Rotatable Bond Count:	4
Topological Polar Surface Area:	50.9 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6