N-Boc-2-amino-5-bromothiophene - CAS 943321-89-9

Catalog:	BB041275
Product Name:	N-Boc-2-amino-5-bromothiophene
CAS:	943321-89-9
Synonyms:	N-(5-bromo-2-thiophenyl)carbamic acid tert-butyl ester; tert-butyl N-(5-bromothiophen-2-yl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(5-bromothiophen-2-yl)carbamate
Description:	N-Boc-2-amino-5-bromothiophene (CAS# 943321-89-9) is a useful research chemical.
Molecular Weight:	278.17
Molecular Formula:	C9H12BrNO2S
Canonical SMILES:	CC(C)(C)OC(=O)NC1=CC=C(S1)Br
InChI:	InChI=1S/C9H12BrNO2S/c1-9(2,3)13-8(12)11-7-5-4-6(10)14-7/h4-5H,1-3H3,(H,11,12)
InChI Key:	SKPRAKMCHAPMNY-UHFFFAOYSA-N
LogP:	3.93060

Publication Number	Title	Priority Date
EP-1968568-A2	INHIBITORS OF Akt ACTIVITY	20051222
WO-2007076423-A2	INHIBITORS OF Akt ACTIVITY	20051222

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Related Functional Groups

Thiophenes

[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[350989-99-0]
Ethyl 2-amino-4-(4-ethylphenyl)thiophene-3-carboxylate
[43028-63-3]
Ethyl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate
[4815-37-6]
Ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate
[91076-94-7]
Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P264, P270, P273, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	276.97721
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	276.97721
Rotatable Bond Count:	3
Topological Polar Surface Area:	66.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5