2-Amino-1-Boc-imidazole - CAS 929568-19-4

Catalog:	BB040727
Product Name:	2-Amino-1-Boc-imidazole
CAS:	929568-19-4
Synonyms:	2-amino-1-imidazolecarboxylic acid tert-butyl ester; tert-butyl 2-aminoimidazole-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 2-aminoimidazole-1-carboxylate
Description:	2-Amino-1-Boc-imidazole (CAS# 929568-19-4) is a useful research chemical.
Molecular Weight:	183.21
Molecular Formula:	C8H13N3O2
Canonical SMILES:	CC(C)(C)OC(=O)N1C=CN=C1N
InChI:	InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)11-5-4-10-6(11)9/h4-5H,1-3H3,(H2,9,10)
InChI Key:	BXKYKASMZAUFCZ-UHFFFAOYSA-N
LogP:	1.82970

Publication Number	Title	Priority Date
US-2020354338-A1	Tyk2 inhibitors and uses thereof	20181022
AU-2012329044-A1	Pesticidal compositions and processes related thereto	20111026
CA-2852776-A1	Pesticidal compositions and processes related thereto	20111026
EP-2770829-A1	Pesticidal compositions and processes related thereto	20111026
EP-2901858-A1	Pesticidal compositions and processes related thereto	20111026

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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:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.100776666
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	183.100776666
Rotatable Bond Count:	2
Topological Polar Surface Area:	70.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5