tert-Butyl (1-methylcyclopentyl)carbamate - CAS 174889-22-6
Catalog: |
BB013055 |
Product Name: |
tert-Butyl (1-methylcyclopentyl)carbamate |
CAS: |
174889-22-6 |
Synonyms: |
Carbamic acid, (1-methylcyclopentyl)-, 1,1-dimethylethyl ester |
IUPAC Name: | tert-butyl N-(1-methylcyclopentyl)carbamate |
Molecular Weight: | 199.29 |
Molecular Formula: | C11H21NO2 |
Canonical SMILES: | CC1(CCCC1)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C11H21NO2/c1-10(2,3)14-9(13)12-11(4)7-5-6-8-11/h5-8H2,1-4H3,(H,12,13) |
InChI Key: | YLVUXVAGZQBSHC-UHFFFAOYSA-N |
Boiling Point: | 274.9±7.0°C at 760 Torr |
Density: | 0.97±0.1 g/cm3 |
Appearance: | White to tan crystals to powder |
LogP: | 3.23470 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.15214353 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.15214353 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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