Propyl Carbamate - CAS 627-12-3
Catalog: |
BB031753 |
Product Name: |
Propyl Carbamate |
CAS: |
627-12-3 |
Synonyms: |
carbamic acid propyl ester; propyl carbamate |
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 °C / 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 |
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 |
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) |
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 |
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