Butyl carbamate - CAS 592-35-8

Catalog:	BB030305
Product Name:	Butyl carbamate
CAS:	592-35-8
Synonyms:	butyl carbamate

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Computed Properties

IUPAC Name:	butyl carbamate
Description:	Butyl carbamate (CAS# 592-35-8) is a useful research chemical.
Molecular Weight:	117.15
Molecular Formula:	C5H11NO2
Canonical SMILES:	CCCCOC(=O)N
InChI:	InChI=1S/C5H11NO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3,(H2,6,7)
InChI Key:	SKKTUOZKZKCGTB-UHFFFAOYSA-N
Boiling Point:	204 °C
Melting Point:	51-56 °C
Purity:	95 %
Density:	0.99 g/cm³
Appearance:	White crystals
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Decomposition:	When heated to decomposition it emits toxic fumes of nox
MDL:	MFCD00007967
LogP:	1.58210
Vapor Pressure:	0.15 [mmHg]

Publication Number	Title	Priority Date
TW-202010492-A	Amino acid compounds with unbranched linkers and methods of use	20180627
WO-2015190613-A1	Radiolabeled compounds	20140609
WO-2015176069-A2	CLEARANCE OF AMYLOID ÃŸ	20140516
WO-2015169784-A1	Method for targeted conjugation of peptides and proteins by paired c2 bridging of cysteine amino acids	20140509
US-2015321998-A1	Method using zirconium catalyst for producing carbamate-functional materials	20140508

PMID	Publication Date	Title	Journal
16099654	20051015	9H-Xanthene-9-carboxylic acid [1,2,4]oxadiazol-3-yl- and (2H-tetrazol-5-yl)-amides as potent, orally available mGlu1 receptor enhancers	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P272, P280, P281, P301+P312, P302+P352, P305+P351+P338, P308+P313, P310, P321, P330, P333+P313, P363, P405, and P501
Signal Word:	Danger

Complexity:	72.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	117.078978594
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	117.078978594
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8