Ethyl (4-aminophenyl)carbamate - CAS 57399-97-0

Catalog:	BB029692
Product Name:	Ethyl (4-aminophenyl)carbamate
CAS:	57399-97-0
Synonyms:	ethyl N-(4-aminophenyl)carbamate

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Computed Properties

IUPAC Name:	ethyl N-(4-aminophenyl)carbamate
Description:	Ethyl (4-aminophenyl)carbamate (CAS# 57399-97-0) is a useful research chemical.
Molecular Weight:	180.20
Molecular Formula:	C9H12N2O2
Canonical SMILES:	CCOC(=O)NC1=CC=C(C=C1)N
InChI:	InChI=1S/C9H12N2O2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3,(H,11,12)
InChI Key:	SABZQUOBNXDLDV-UHFFFAOYSA-N
Boiling Point:	275.574 °C at 760 mmHg
Density:	1.22 g/cm³
MDL:	MFCD00134818
LogP:	2.49140

Publication Number	Title	Priority Date
EP-2978425-B1	Factor xia inhibitors	20130327
AU-2014235750-A1	Inhibitors of indoleamine 2,3-dioxygenase (IDO)	20130315
AU-2014235750-B2	Inhibitors of indoleamine 2,3-dioxygenase (IDO)	20130315
CA-2905452-A1	Inhibitors of indoleamine 2,3-dioxygenase (ido)	20130315
DK-2970155-T3	Inhibitors of indoleamine 2,3-dioxygenase (ido)	20130315

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[1256633-32-5]
4,5-Isoxazoledicarbonitrile
[5334-43-0]
5-Amino-1-phenylpyrazole-4-carbonitrile

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GHS Hazard Statement:	H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P362+P364, and P501
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.08987763
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	180.08987763
Rotatable Bond Count:	3
Topological Polar Surface Area:	64.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6