Propyl Carbamate - CAS 627-12-3

Catalog:	BB031753
Product Name:	Propyl Carbamate
CAS:	627-12-3
Synonyms:	carbamic acid propyl ester; propyl carbamate

Technical Data

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Computed Properties

IUPAC Name:	propyl carbamate
Description:	A metabolite of alkyl carbamate (ethyl or propyl).
Molecular Weight:	103.12
Molecular Formula:	C4H9NO2
Canonical SMILES:	CCCOC(=O)N
InChI:	InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)
InChI Key:	YNTOKMNHRPSGFU-UHFFFAOYSA-N
Boiling Point:	92-93 ℃ / 12 mmHg (lit.)
Melting Point:	60 °C
Density:	1.013 g/cm³
Solubility:	Sol in water, Ethanol & diethyl ether
Appearance:	Prisms
Decomposition:	When heated to decomposition it emits toxic fumes of nox
MDL:	MFCD00047879
LogP:	1.19200
Vapor Pressure:	1 MM HG at 52.4 °C

Publication Number	Title	Priority Date
CN-213286868-U	Ammonia gas separation and recovery device in N-substituted carbamate synthesis process	20210423
CN-112843019-A	Nucleic acid lipid nanoparticle composition, pharmaceutical preparation containing same, and preparation method and application thereof	20210127
CN-112552207-A	Production method of anisyl nitrile	20201224
CN-112481319-A	Green synthesis method of carbamate	20201210
CN-112342148-A	Construction and application of ureidoamidohydrolase display strain	20201029

PMID	Publication Date	Title	Journal
21361345	20110405	Carbon dioxide sorbents with propylamine groups-silica functionalized with a fractional factorial design approach	Langmuir : the ACS journal of surfaces and colloids
15521054	20050121	Self-assembly of the octanuclear cluster [Cu8(OH)10(NH2(CH2)2CH3)12]6+ and the one-dimensional N-propylcarbamate-linked coordination polymer {[Cu(O2CNH(CH2)2CH3)(NH2(CH2)2CH3)3](ClO4)}n	Chemistry (Weinheim an der Bergstrasse, Germany)

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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:	62.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	103.063328530
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	103.063328530
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4